CID 45934136

Myristoyl-dl-carnitine chloride

Structural Information

Molecular Formula
C21H41ClNO3
SMILES
CCCCCCCCCCCCCC(=O)C(CC([N+](C)(C)C)Cl)C(=O)O
InChI
InChI=1S/C21H40ClNO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-19(24)18(21(25)26)17-20(22)23(2,3)4/h18,20H,5-17H2,1-4H3/p+1
InChIKey
MLRJUXQTOGJYLD-UHFFFAOYSA-O
Compound name
(3-carboxy-1-chloro-4-oxoheptadecyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.2775 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.28478 200.6
[M+Na]+ 413.26672 201.6
[M-H]- 389.27022 198.9
[M+NH4]+ 408.31132 215.9
[M+K]+ 429.24066 192.2
[M+H-H2O]+ 373.27476 197.9
[M+HCOO]- 435.27570 219.8
[M+CH3COO]- 449.29135 220.8
[M+Na-2H]- 411.25217 198.4
[M]+ 390.27695 206.8
[M]- 390.27805 206.8
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.