CID 92176584

153443-17-5

Structural Information

Molecular Formula
C6H12O3S
SMILES
CSCC[C@H](CC(=O)O)O
InChI
InChI=1S/C6H12O3S/c1-10-3-2-5(7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1
InChIKey
GSKBRSYYWPTGJO-RXMQYKEDSA-N
Compound name
(3S)-3-hydroxy-5-methylsulfanylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.05072 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.05800 135.4
[M+Na]+ 187.03994 143.0
[M+NH4]+ 182.08454 142.1
[M+K]+ 203.01388 137.8
[M-H]- 163.04344 132.9
[M+Na-2H]- 185.02539 136.1
[M]+ 164.05017 135.8
[M]- 164.05127 135.8
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.