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

30
Patents

169.01974 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.02702 133.8
[M+Na]+ 192.00896 142.5
[M-H]- 168.01246 138.2
[M+NH4]+ 187.05356 156.4
[M+K]+ 207.98290 140.5
[M+H-H2O]+ 152.01700 128.4
[M+HCOO]- 214.01794 155.1
[M+CH3COO]- 228.03359 177.5
[M+Na-2H]- 189.99441 135.8
[M]+ 169.01919 136.3
[M]- 169.02029 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