CID 21573078

Schembl8303646

Structural Information

Molecular Formula
C7H6O3S
SMILES
C1=CSC(=C1)C=C(C(=O)O)O
InChI
InChI=1S/C7H6O3S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-4,8H,(H,9,10)
InChIKey
GIINSCHTDORGIN-UHFFFAOYSA-N
Compound name
2-hydroxy-3-thiophen-2-ylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

170.00377 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.011046 135.3
[M+Na]+ 192.992988 142.8
[M-H]- 168.996494 136.7
[M+NH4]+ 188.037593 156.3
[M+K]+ 208.966928 140.1
[M+H-H2O]+ 153.001030 130.6
[M+HCOO]- 215.001971 151.9
[M+CH3COO]- 229.017621 169.3
[M+Na-2H]- 190.978436 135.6
[M]+ 170.00322142 135.3
[M]- 170.00431858 135.3
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

patents stripe