CID 65946379

2-hydroxy-3-(thiophen-3-yl)propanoic acid

Structural Information

Molecular Formula
C7H8O3S
SMILES
C1=CSC=C1CC(C(=O)O)O
InChI
InChI=1S/C7H8O3S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6,8H,3H2,(H,9,10)
InChIKey
VEAISOMFKUYIGQ-UHFFFAOYSA-N
Compound name
2-hydroxy-3-thiophen-3-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

172.01941 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.026686 135.9
[M+Na]+ 195.008628 143.0
[M-H]- 171.012134 137.1
[M+NH4]+ 190.053233 156.8
[M+K]+ 210.982568 140.9
[M+H-H2O]+ 155.016670 131.1
[M+HCOO]- 217.017611 152.3
[M+CH3COO]- 231.033261 170.9
[M+Na-2H]- 192.994076 136.2
[M]+ 172.01886142 136.6
[M]- 172.01995858 136.6
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