CID 268899

N-(5-formyl-2-thienyl)acetamide

Structural Information

Molecular Formula
C7H7NO2S
SMILES
CC(=O)NC1=CC=C(S1)C=O
InChI
InChI=1S/C7H7NO2S/c1-5(10)8-7-3-2-6(4-9)11-7/h2-4H,1H3,(H,8,10)
InChIKey
RYHPGKJBLSYSCH-UHFFFAOYSA-N
Compound name
N-(5-formylthiophen-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

169.01974 Da
Monoisotopic Mass

0.9
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

literature stripe

Patent stripe

patents stripe