CID 156961900

3-oxododecanoylcarnitine

Structural Information

Molecular Formula
C19H36NO5
SMILES
CCCCCCCCCC(=O)CC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C19H35NO5/c1-5-6-7-8-9-10-11-12-16(21)13-19(24)25-17(14-18(22)23)15-20(2,3)4/h17H,5-15H2,1-4H3/p+1
InChIKey
BSVXIHNWWDFVFF-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(3-oxododecanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.25934 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.26662 198.8
[M+Na]+ 381.24856 207.8
[M-H]- 357.25206 198.3
[M+NH4]+ 376.29316 205.1
[M+K]+ 397.22250 185.3
[M+H-H2O]+ 341.25660 186.6
[M+HCOO]- 403.25754 209.2
[M+CH3COO]- 417.27319 213.5
[M+Na-2H]- 379.23401 189.9
[M]+ 358.25879 198.7
[M]- 358.25989 198.7
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.