CID 156961896

5-hydroxydodecanedioylcarnitine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.24918 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.25646 199.7
[M+Na]+ 413.23840 206.0
[M-H]- 389.24190 201.0
[M+NH4]+ 408.28300 204.4
[M+K]+ 429.21234 200.2
[M+H-H2O]+ 373.24644 194.7
[M+HCOO]- 435.24738 204.3
[M+CH3COO]- 449.26303 213.3
[M+Na-2H]- 411.22385 190.7
[M]+ 390.24863 196.9
[M]- 390.24973 196.9
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.