CID 44146419

19467-38-0

Structural Information

Molecular Formula
C24H48NO3
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C[N+](C)(C)C)O
InChI
InChI=1S/C24H48NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(27)28-22-23(26)21-25(2,3)4/h12-13,23,26H,5-11,14-22H2,1-4H3/q+1/b13-12-
InChIKey
JPZYCTGQQKVHNC-SEYXRHQNSA-N
Compound name
[2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

398.36343 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.37071 210.2
[M+Na]+ 421.35265 228.0
[M-H]- 397.35615 213.2
[M+NH4]+ 416.39725 221.6
[M+K]+ 437.32659 200.8
[M+H-H2O]+ 381.36069 205.7
[M+HCOO]- 443.36163 232.7
[M+CH3COO]- 457.37728 223.5
[M+Na-2H]- 419.33810 209.1
[M]+ 398.36288 219.8
[M]- 398.36398 219.8
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

patents stripe