CID 156961449

2,4-dimethylhexanedioylcarnitine

Structural Information

Molecular Formula
C15H28NO6
SMILES
CC(CC(C)C(=O)O)CC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C15H27NO6/c1-10(6-11(2)15(20)21)7-14(19)22-12(8-13(17)18)9-16(3,4)5/h10-12H,6-9H2,1-5H3,(H-,17,18,20,21)/p+1
InChIKey
JFXWZSVUUWOSTJ-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(5-carboxy-3-methylhexanoyl)oxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.19165 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.19893 172.3
[M+Na]+ 341.18087 191.5
[M-H]- 317.18437 186.5
[M+NH4]+ 336.22547 190.5
[M+K]+ 357.15481 170.0
[M+H-H2O]+ 301.18891 169.8
[M+HCOO]- 363.18985 188.2
[M+CH3COO]- 377.20550 202.9
[M+Na-2H]- 339.16632 171.5
[M]+ 318.19110 181.6
[M]- 318.19220 181.6
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.