CID 53481643

2-hydroxymyristoylcarnitine

Structural Information

Molecular Formula
C21H42NO5
SMILES
CCCCCCCCCCCCC(C(=O)OC(CC(=O)O)C[N+](C)(C)C)O
InChI
InChI=1S/C21H41NO5/c1-5-6-7-8-9-10-11-12-13-14-15-19(23)21(26)27-18(16-20(24)25)17-22(2,3)4/h18-19,23H,5-17H2,1-4H3/p+1
InChIKey
WWDZVVWQNWNRDM-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(2-hydroxytetradecanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

388.3063 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.31358 208.3
[M+Na]+ 411.29552 215.3
[M-H]- 387.29902 206.0
[M+NH4]+ 406.34012 211.9
[M+K]+ 427.26946 210.2
[M+H-H2O]+ 371.30356 197.4
[M+HCOO]- 433.30450 215.4
[M+CH3COO]- 447.32015 217.8
[M+Na-2H]- 409.28097 198.5
[M]+ 388.30575 206.6
[M]- 388.30685 206.6
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

patents stripe