CID 156962329

[3-carboxy-2-(10-hydroxyheptadecanoyloxy)propyl]-trimethylazanium

Structural Information

Molecular Formula
C24H48NO5
SMILES
CCCCCCCC(CCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C)O
InChI
InChI=1S/C24H47NO5/c1-5-6-7-10-13-16-21(26)17-14-11-8-9-12-15-18-24(29)30-22(19-23(27)28)20-25(2,3)4/h21-22,26H,5-20H2,1-4H3/p+1
InChIKey
TZEXQLSHICBFDV-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(10-hydroxyheptadecanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.35324 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.36052 219.3
[M+Na]+ 453.34246 225.8
[M-H]- 429.34596 215.9
[M+NH4]+ 448.38706 222.8
[M+K]+ 469.31640 221.9
[M+H-H2O]+ 413.35050 214.0
[M+HCOO]- 475.35144 225.2
[M+CH3COO]- 489.36709 226.5
[M+Na-2H]- 451.32791 208.1
[M]+ 430.35269 217.3
[M]- 430.35379 217.3
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.