CID 3068573

Mercaptoacetyl carnitine chloride

Structural Information

Molecular Formula
C9H18NO4S
SMILES
C[N+](C)(C)C[C@@H](CC(=O)O)OC(=O)CS
InChI
InChI=1S/C9H17NO4S/c1-10(2,3)5-7(4-8(11)12)14-9(13)6-15/h7H,4-6H2,1-3H3,(H-,11,12,15)/p+1/t7-/m1/s1
InChIKey
FLUQNZFZFHCOHH-SSDOTTSWSA-O
Compound name
[(2R)-3-carboxy-2-(2-sulfanylacetyl)oxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.09566 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10294 150.4
[M+Na]+ 259.08488 158.5
[M+NH4]+ 254.12948 157.0
[M+K]+ 275.05882 155.3
[M-H]- 235.08838 149.3
[M+Na-2H]- 257.07033 151.8
[M]+ 236.09511 151.7
[M]- 236.09621 151.7
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.