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

29
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 135.6
[M+Na]+ 192.00896 145.2
[M+NH4]+ 187.05356 143.8
[M+K]+ 207.98290 139.9
[M-H]- 168.01246 136.8
[M+Na-2H]- 189.99441 139.8
[M]+ 169.01919 137.5
[M]- 169.02029 137.5
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