PubChemLite - 3-cyclohexylamino-3-(2,2,7,7-tetramethyl-tetrahydro-bis[1,3]dioxolo[4,5-b (C20H35NO6)

Structural Information

Molecular Formula

SMILES

CC1(OC2[C@H](OC3C(C2O1)OC(O3)(C)C)C(CCO)NC4CCCCC4)C

InChI

InChI=1S/C20H35NO6/c1-19(2)24-15-14(13(10-11-22)21-12-8-6-5-7-9-12)23-18-17(16(15)25-19)26-20(3,4)27-18/h12-18,21-22H,5-11H2,1-4H3/t13?,14-,15?,16?,17?,18?/m1/s1

InChIKey

ZFQFBMOFDFNOAI-YWTTYQRVSA-N

Compound name

3-(cyclohexylamino)-3-[(8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propan-1-ol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	386.25371	193.2
[M+Na]+	408.23565	195.8
[M-H]-	384.23915	201.1
[M+NH4]+	403.28025	206.2
[M+K]+	424.20959	198.3
[M+H-H2O]+	368.24369	190.3
[M+HCOO]-	430.24463	199.2
[M+CH3COO]-	444.26028	220.9
[M+Na-2H]-	406.22110	193.6
[M]+	385.24588	193.2
[M]-	385.24698	193.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

386.25371

193.2

[M+Na]+

408.23565

195.8

[M-H]-

384.23915

201.1

[M+NH4]+

403.28025

206.2

[M+K]+

424.20959

198.3

[M+H-H2O]+

368.24369

190.3

[M+HCOO]-

430.24463

199.2

[M+CH3COO]-

444.26028

220.9

[M+Na-2H]-

406.22110

193.6

[M]+

385.24588

193.2

[M]-

385.24698

193.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

3-cyclohexylamino-3-(2,2,7,7-tetramethyl-tetrahydro-bis[1,3]dioxolo[4,5-b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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