CID 151880795

2352665-49-5

Structural Information

Molecular Formula
C6H12O3S
SMILES
CC(C(C(=O)OC)O)SC
InChI
InChI=1S/C6H12O3S/c1-4(10-3)5(7)6(8)9-2/h4-5,7H,1-3H3
InChIKey
SORCBXXRKLOEED-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-3-methylsulfanylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.05072 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.057996 134.6
[M+Na]+ 187.039938 140.7
[M-H]- 163.043444 133.7
[M+NH4]+ 182.084543 155.0
[M+K]+ 203.013878 140.6
[M+H-H2O]+ 147.047980 129.9
[M+HCOO]- 209.048921 149.2
[M+CH3COO]- 223.064571 175.3
[M+Na-2H]- 185.025386 134.2
[M]+ 164.05017142 137.7
[M]- 164.05126858 137.7
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.