CID 122208373

1612795-77-3

Structural Information

Molecular Formula
C16H35N2O5S
SMILES
CCCCCCCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O
InChI
InChI=1S/C16H34N2O5S/c1-4-5-6-7-8-10-16(20)17-11-9-12-18(2,3)13-15(19)14-24(21,22)23/h15,19H,4-14H2,1-3H3,(H-,17,20,21,22,23)/p+1
InChIKey
MYADDAKSNMNYJM-UHFFFAOYSA-O
Compound name
(2-hydroxy-3-sulfopropyl)-dimethyl-[3-(octanoylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

367.22665 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.23393 184.3
[M+Na]+ 390.21587 185.0
[M-H]- 366.21937 181.5
[M+NH4]+ 385.26047 203.7
[M+K]+ 406.18981 176.9
[M+H-H2O]+ 350.22391 180.3
[M+HCOO]- 412.22485 215.1
[M+CH3COO]- 426.24050 209.7
[M+Na-2H]- 388.20132 186.9
[M]+ 367.22610 188.0
[M]- 367.22720 188.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.