CID 139920210

(3-carboxy-2-pentadec-6-enoyloxypropyl)-trimethylazanium

Structural Information

Molecular Formula
C22H42NO4
SMILES
CCCCCCCCC=CCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C22H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)27-20(18-21(24)25)19-23(2,3)4/h12-13,20H,5-11,14-19H2,1-4H3/p+1
InChIKey
USVWKYFRVAQFKF-UHFFFAOYSA-O
Compound name
(3-carboxy-2-pentadec-6-enoyloxypropyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.31137 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.31865 210.0
[M+Na]+ 407.30059 218.5
[M-H]- 383.30409 206.4
[M+NH4]+ 402.34519 213.9
[M+K]+ 423.27453 212.9
[M+H-H2O]+ 367.30863 198.0
[M+HCOO]- 429.30957 221.7
[M+CH3COO]- 443.32522 219.1
[M+Na-2H]- 405.28604 201.1
[M]+ 384.31082 209.5
[M]- 384.31192 209.5
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.