CID 156961419

4-methylpentanoylcarnitine

Structural Information

Molecular Formula
C13H26NO4
SMILES
CC(C)CCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C13H25NO4/c1-10(2)6-7-13(17)18-11(8-12(15)16)9-14(3,4)5/h10-11H,6-9H2,1-5H3/p+1
InChIKey
GCKJJXWIYAKHOA-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(4-methylpentanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.1862 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.193476 160.7
[M+Na]+ 283.175418 164.3
[M-H]- 259.178924 160.6
[M+NH4]+ 278.220023 177.2
[M+K]+ 299.149358 159.6
[M+H-H2O]+ 243.183460 158.3
[M+HCOO]- 305.184401 178.8
[M+CH3COO]- 319.200051 194.8
[M+Na-2H]- 281.160866 163.2
[M]+ 260.18565142 163.2
[M]- 260.18674858 163.2
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.