CID 156961600

4-hydroxydecanedioylcarnitine

Structural Information

Molecular Formula
C17H32NO7
SMILES
C[N+](C)(C)CC(CC(=O)O)OC(=O)CCC(CCCCCC(=O)O)O
InChI
InChI=1S/C17H31NO7/c1-18(2,3)12-14(11-16(22)23)25-17(24)10-9-13(19)7-5-4-6-8-15(20)21/h13-14,19H,4-12H2,1-3H3,(H-,20,21,22,23)/p+1
InChIKey
JBGUBFZEOMPZPU-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(9-carboxy-4-hydroxynonanoyl)oxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.21786 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.22514 183.4
[M+Na]+ 385.20708 187.4
[M+NH4]+ 380.25168 172.0
[M+K]+ 401.18102 165.0
[M-H]- 361.21058 165.8
[M+Na-2H]- 383.19253 180.3
[M]+ 362.21731 182.0
[M]- 362.21841 182.0
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.