CID 156962011

3-oxotridecanoylcarnitine

Structural Information

Molecular Formula
C20H38NO5
SMILES
CCCCCCCCCCC(=O)CC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C20H37NO5/c1-5-6-7-8-9-10-11-12-13-17(22)14-20(25)26-18(15-19(23)24)16-21(2,3)4/h18H,5-16H2,1-4H3/p+1
InChIKey
PJXKBYRVXLGRLO-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(3-oxotridecanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.275 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.28228 191.9
[M+Na]+ 395.26422 197.7
[M+NH4]+ 390.30882 179.4
[M+K]+ 411.23816 214.7
[M-H]- 371.26772 170.1
[M+Na-2H]- 393.24967 190.4
[M]+ 372.27445 191.7
[M]- 372.27555 191.7
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.