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]+ 149.02669 130.8
[M+Na]+ 171.00863 139.0
[M+NH4]+ 166.05323 137.5
[M+K]+ 186.98257 133.1
[M-H]- 147.01213 128.3
[M+Na-2H]- 168.99408 131.9
[M]+ 148.01886 131.3
[M]- 148.01996 131.3
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.