CID 81854

7380-58-7

Structural Information

Molecular Formula
C4H8O3S
SMILES
C(COC(=O)CS)O
InChI
InChI=1S/C4H8O3S/c5-1-2-7-4(6)3-8/h5,8H,1-3H2
InChIKey
QKZQKNCNSNZRFA-UHFFFAOYSA-N
Compound name
2-hydroxyethyl 2-sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

597
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 125.3
[M+Na]+ 159.008628 132.8
[M-H]- 135.012134 124.6
[M+NH4]+ 154.053233 146.9
[M+K]+ 174.982568 132.2
[M+H-H2O]+ 119.016670 120.8
[M+HCOO]- 181.017611 142.6
[M+CH3COO]- 195.033261 167.5
[M+Na-2H]- 156.994076 128.1
[M]+ 136.01886142 128.8
[M]- 136.01995858 128.8
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

patents stripe