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

47
Patents

172.01941 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.02669 135.9
[M+Na]+ 195.00863 143.0
[M-H]- 171.01213 137.1
[M+NH4]+ 190.05323 156.8
[M+K]+ 210.98257 140.9
[M+H-H2O]+ 155.01667 131.1
[M+HCOO]- 217.01761 152.3
[M+CH3COO]- 231.03326 170.9
[M+Na-2H]- 192.99408 136.2
[M]+ 172.01886 136.6
[M]- 172.01996 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