PubChemLite - Beta-aminoarteether maleate (C17H29NO5)

Structural Information

Molecular Formula

SMILES

C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OCCN)C

InChI

InChI=1S/C17H29NO5/c1-10-4-5-13-11(2)14(19-9-8-18)20-15-17(13)12(10)6-7-16(3,21-15)22-23-17/h10-15H,4-9,18H2,1-3H3/t10-,11-,12+,13+,14+,15-,16-,17-/m1/s1

InChIKey

HPGHCIXRRLNXRN-XQLAAWPRSA-N

Compound name

2-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]ethanamine

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]+	328.21184	172.2
[M+Na]+	350.19378	178.8
[M-H]-	326.19728	177.0
[M+NH4]+	345.23838	187.7
[M+K]+	366.16772	177.4
[M+H-H2O]+	310.20182	169.1
[M+HCOO]-	372.20276	175.7
[M+CH3COO]-	386.21841	180.0
[M+Na-2H]-	348.17923	180.6
[M]+	327.20401	172.6
[M]-	327.20511	172.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

328.21184

172.2

[M+Na]+

350.19378

178.8

[M-H]-

326.19728

177.0

[M+NH4]+

345.23838

187.7

[M+K]+

366.16772

177.4

[M+H-H2O]+

310.20182

169.1

[M+HCOO]-

372.20276

175.7

[M+CH3COO]-

386.21841

180.0

[M+Na-2H]-

348.17923

180.6

[M]+

327.20401

172.6

[M]-

327.20511

172.6

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

Beta-aminoarteether maleate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe