CID 156961403

4-methylpentacosanoylcarnitine

Structural Information

Molecular Formula
C33H66NO4
SMILES
CCCCCCCCCCCCCCCCCCCCCC(C)CCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C33H65NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30(2)26-27-33(37)38-31(28-32(35)36)29-34(3,4)5/h30-31H,6-29H2,1-5H3/p+1
InChIKey
QTTGDUVFSKIGRF-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(4-methylpentacosanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.4992 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.50648 250.3
[M+Na]+ 563.48842 253.6
[M+NH4]+ 558.53302 223.2
[M+K]+ 579.46236 218.3
[M-H]- 539.49192 209.4
[M+Na-2H]- 561.47387 239.0
[M]+ 540.49865 249.7
[M]- 540.49975 249.7
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.