CID 14392737

147084-58-0

Structural Information

Molecular Formula
C5H8O3S
SMILES
C(CS/C=C\C(=O)O)O
InChI
InChI=1S/C5H8O3S/c6-2-4-9-3-1-5(7)8/h1,3,6H,2,4H2,(H,7,8)/b3-1-
InChIKey
ATECTSUBHORAGM-IWQZZHSRSA-N
Compound name
(Z)-3-(2-hydroxyethylsulfanyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.01941 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.026686 129.2
[M+Na]+ 171.008628 136.1
[M-H]- 147.012134 126.9
[M+NH4]+ 166.053233 149.5
[M+K]+ 186.982568 133.7
[M+H-H2O]+ 131.016670 124.8
[M+HCOO]- 193.017611 144.9
[M+CH3COO]- 207.033261 167.0
[M+Na-2H]- 168.994076 131.1
[M]+ 148.01886142 130.5
[M]- 148.01995858 130.5
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.