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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	165.05800	135.5
[M+Na]+	187.03994	143.4
[M+NH4]+	182.08454	142.4
[M+K]+	203.01388	138.7
[M-H]-	163.04344	133.3
[M+Na-2H]-	185.02539	136.5
[M]+	164.05017	136.1
[M]-	164.05127	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.