CID 13848435

Disodium steariminodipropionate

Structural Information

Molecular Formula
C24H47NO4
SMILES
CCCCCCCCCCCCCCCCCCN(CCC(=O)O)CCC(=O)O
InChI
InChI=1S/C24H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(21-18-23(26)27)22-19-24(28)29/h2-22H2,1H3,(H,26,27)(H,28,29)
InChIKey
FIDDSQGCUOJNBD-UHFFFAOYSA-N
Compound name
3-[2-carboxyethyl(octadecyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

487
Patents

413.3505 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.35778 214.1
[M+Na]+ 436.33972 212.2
[M-H]- 412.34322 211.5
[M+NH4]+ 431.38432 220.3
[M+K]+ 452.31366 208.7
[M+H-H2O]+ 396.34776 205.7
[M+HCOO]- 458.34870 223.9
[M+CH3COO]- 472.36435 231.7
[M+Na-2H]- 434.32517 207.9
[M]+ 413.34995 217.6
[M]- 413.35105 217.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe