CID 156961898

6-hydroxydodecanedioylcarnitine

Structural Information

Molecular Formula
C19H36NO7
SMILES
C[N+](C)(C)CC(CC(=O)O)OC(=O)CCCCC(CCCCCC(=O)O)O
InChI
InChI=1S/C19H35NO7/c1-20(2,3)14-16(13-18(24)25)27-19(26)12-8-7-10-15(21)9-5-4-6-11-17(22)23/h15-16,21H,4-14H2,1-3H3,(H-,22,23,24,25)/p+1
InChIKey
YBTIESRHTAYAFK-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(11-carboxy-6-hydroxyundecanoyl)oxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.24918 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.25646 198.1
[M+Na]+ 413.23840 178.8
[M+NH4]+ 408.28300 178.9
[M+K]+ 429.21234 172.2
[M-H]- 389.24190 172.2
[M+Na-2H]- 411.22385 188.3
[M]+ 390.24863 174.0
[M]- 390.24973 174.0
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.