CID 12241091

N-(2-formylthiophen-3-yl)acetamide

Structural Information

Molecular Formula
C7H7NO2S
SMILES
CC(=O)NC1=C(SC=C1)C=O
InChI
InChI=1S/C7H7NO2S/c1-5(10)8-6-2-3-11-7(6)4-9/h2-4H,1H3,(H,8,10)
InChIKey
MVVJMHXGMCIHNE-UHFFFAOYSA-N
Compound name
N-(2-formylthiophen-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

169.01974 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.027016 133.8
[M+Na]+ 192.008958 142.5
[M-H]- 168.012464 138.2
[M+NH4]+ 187.053563 156.4
[M+K]+ 207.982898 140.5
[M+H-H2O]+ 152.017000 128.4
[M+HCOO]- 214.017941 155.1
[M+CH3COO]- 228.033591 177.5
[M+Na-2H]- 189.994406 135.8
[M]+ 169.01919142 136.3
[M]- 169.02028858 136.3
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