CID 18938025

5-acetylthiophene-2-carboxamide

Structural Information

Molecular Formula
C7H7NO2S
SMILES
CC(=O)C1=CC=C(S1)C(=O)N
InChI
InChI=1S/C7H7NO2S/c1-4(9)5-2-3-6(11-5)7(8)10/h2-3H,1H3,(H2,8,10)
InChIKey
JFVJHFSCKAFLGD-UHFFFAOYSA-N
Compound name
5-acetylthiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

169.01974 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.027016 134.5
[M+Na]+ 192.008958 142.8
[M-H]- 168.012464 138.4
[M+NH4]+ 187.053563 156.6
[M+K]+ 207.982898 140.9
[M+H-H2O]+ 152.017000 129.2
[M+HCOO]- 214.017941 154.1
[M+CH3COO]- 228.033591 178.4
[M+Na-2H]- 189.994406 134.4
[M]+ 169.01919142 135.4
[M]- 169.02028858 135.4
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