CID 676450

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

Structural Information

Molecular Formula
C7H6N2OS
SMILES
CC(=O)NC1=C(C=CS1)C#N
InChI
InChI=1S/C7H6N2OS/c1-5(10)9-7-6(4-8)2-3-11-7/h2-3H,1H3,(H,9,10)
InChIKey
ISSDPIIIRFZTAU-UHFFFAOYSA-N
Compound name
N-(3-cyanothiophen-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

29
Patents

166.02008 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.027356 140.5
[M+Na]+ 189.009298 151.2
[M-H]- 165.012804 144.9
[M+NH4]+ 184.053903 161.1
[M+K]+ 204.983238 148.8
[M+H-H2O]+ 149.017340 128.4
[M+HCOO]- 211.018281 157.8
[M+CH3COO]- 225.033931 190.3
[M+Na-2H]- 186.994746 142.2
[M]+ 166.01953142 137.1
[M]- 166.02062858 137.1
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