CID 138164920

Nonadecanoylcarnitine

Structural Information

Molecular Formula
C26H52NO4
SMILES
CCCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C26H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(30)31-24(22-25(28)29)23-27(2,3)4/h24H,5-23H2,1-4H3/p+1
InChIKey
GWKZIORVZQMWMC-UHFFFAOYSA-O
Compound name
(3-carboxy-2-nonadecanoyloxypropyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

442.38965 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.39693 227.3
[M+Na]+ 465.37887 234.4
[M-H]- 441.38237 221.4
[M+NH4]+ 460.42347 230.7
[M+K]+ 481.35281 230.8
[M+H-H2O]+ 425.38691 222.1
[M+HCOO]- 487.38785 236.4
[M+CH3COO]- 501.40350 232.4
[M+Na-2H]- 463.36432 215.5
[M]+ 442.38910 226.4
[M]- 442.39020 226.4
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.