CID 723562

5-carbamoylthiophene-2-carboxylic acid

Structural Information

Molecular Formula
C6H5NO3S
SMILES
C1=C(SC(=C1)C(=O)O)C(=O)N
InChI
InChI=1S/C6H5NO3S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H2,7,8)(H,9,10)
InChIKey
QHUQNZMROQKPRS-UHFFFAOYSA-N
Compound name
5-carbamoylthiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

170.99901 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.00629 134.5
[M+Na]+ 193.98823 142.4
[M+NH4]+ 189.03283 141.5
[M+K]+ 209.96217 139.4
[M-H]- 169.99173 134.2
[M+Na-2H]- 191.97368 137.1
[M]+ 170.99846 135.5
[M]- 170.99956 135.5
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

patents stripe