CID 156961059

8-methylpentadecanoylcarnitine

Structural Information

Molecular Formula
C23H46NO4
SMILES
CCCCCCCC(C)CCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C23H45NO4/c1-6-7-8-9-12-15-20(2)16-13-10-11-14-17-23(27)28-21(18-22(25)26)19-24(3,4)5/h20-21H,6-19H2,1-5H3/p+1
InChIKey
ZPEPJMHZPLYWDO-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(8-methylpentadecanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.34268 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.34996 215.0
[M+Na]+ 423.33190 223.2
[M-H]- 399.33540 211.8
[M+NH4]+ 418.37650 220.1
[M+K]+ 439.30584 219.0
[M+H-H2O]+ 383.33994 210.9
[M+HCOO]- 445.34088 223.1
[M+CH3COO]- 459.35653 224.3
[M+Na-2H]- 421.31735 205.4
[M]+ 400.34213 214.6
[M]- 400.34323 214.6
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.