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

0
Patents

260.1862 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.19348 160.7
[M+Na]+ 283.17542 164.3
[M-H]- 259.17892 160.6
[M+NH4]+ 278.22002 177.2
[M+K]+ 299.14936 159.6
[M+H-H2O]+ 243.18346 158.3
[M+HCOO]- 305.18440 178.8
[M+CH3COO]- 319.20005 194.8
[M+Na-2H]- 281.16087 163.2
[M]+ 260.18565 163.2
[M]- 260.18675 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.