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 160.4
[M+Na]+ 283.17542 168.2
[M+NH4]+ 278.22002 166.0
[M+K]+ 299.14936 166.8
[M-H]- 259.17892 158.9
[M+Na-2H]- 281.16087 161.2
[M]+ 260.18565 161.0
[M]- 260.18675 161.0
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.