CID 3557280

2-(formylamino)-3-thiophenecarboxylic acid

Structural Information

Molecular Formula
C6H5NO3S
SMILES
C1=CSC(=C1C(=O)O)NC=O
InChI
InChI=1S/C6H5NO3S/c8-3-7-5-4(6(9)10)1-2-11-5/h1-3H,(H,7,8)(H,9,10)
InChIKey
ZWSJWGDWLCBNLV-UHFFFAOYSA-N
Compound name
2-formamidothiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

170.99901 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.006286 132.5
[M+Na]+ 193.988228 140.9
[M-H]- 169.991734 135.5
[M+NH4]+ 189.032833 154.0
[M+K]+ 209.962168 138.7
[M+H-H2O]+ 153.996270 127.3
[M+HCOO]- 215.997211 152.8
[M+CH3COO]- 230.012861 174.7
[M+Na-2H]- 191.973676 134.7
[M]+ 170.99846142 134.2
[M]- 170.99955858 134.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe