CID 15647667

15592-42-4

Structural Information

Molecular Formula
C4H8O3S
SMILES
CSCC(C(=O)O)O
InChI
InChI=1S/C4H8O3S/c1-8-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)
InChIKey
OEFRJRLPHLHRLE-UHFFFAOYSA-N
Compound name
2-hydroxy-3-methylsulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

136.01941 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.026686 126.0
[M+Na]+ 159.008628 132.7
[M-H]- 135.012134 123.9
[M+NH4]+ 154.053233 146.7
[M+K]+ 174.982568 131.6
[M+H-H2O]+ 119.016670 121.7
[M+HCOO]- 181.017611 140.7
[M+CH3COO]- 195.033261 166.5
[M+Na-2H]- 156.994076 127.2
[M]+ 136.01886142 127.1
[M]- 136.01995858 127.1
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

patents stripe