PubChemLite - Spirosolan-3-ol (C27H45NO2)

Structural Information

Molecular Formula

SMILES

CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)NC1

InChI

InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3

InChIKey

XYNPYHXGMWJBLV-UHFFFAOYSA-N

Compound name

5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-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]+	416.35231	210.1
[M+Na]+	438.33425	216.1
[M+NH4]+	433.37885	223.6
[M+K]+	454.30819	206.9
[M-H]-	414.33775	214.0
[M+Na-2H]-	436.31970	208.0
[M]+	415.34448	212.3
[M]-	415.34558	212.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

416.35231

210.1

[M+Na]+

438.33425

216.1

[M+NH4]+

433.37885

223.6

[M+K]+

454.30819

206.9

[M-H]-

414.33775

214.0

[M+Na-2H]-

436.31970

208.0

[M]+

415.34448

212.3

[M]-

415.34558

212.3

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

Spirosolan-3-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe