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
1
Annotation Hits

0
References

485
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 211.1
[M+Na]+ 436.33972 227.1
[M+NH4]+ 431.38432 224.1
[M+K]+ 452.31366 223.4
[M-H]- 412.34322 213.8
[M+Na-2H]- 434.32517 207.5
[M]+ 413.34995 220.7
[M]- 413.35105 220.7
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