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

141
Patents

136.01941 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.02669 126.0
[M+Na]+ 159.00863 132.7
[M-H]- 135.01213 123.9
[M+NH4]+ 154.05323 146.7
[M+K]+ 174.98257 131.6
[M+H-H2O]+ 119.01667 121.7
[M+HCOO]- 181.01761 140.7
[M+CH3COO]- 195.03326 166.5
[M+Na-2H]- 156.99408 127.2
[M]+ 136.01886 127.1
[M]- 136.01996 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