CID 205326

17770-30-8

Structural Information

Molecular Formula
C9H10N2OS
SMILES
CC(=O)NC(CC#N)C1=CC=CS1
InChI
InChI=1S/C9H10N2OS/c1-7(12)11-8(4-5-10)9-3-2-6-13-9/h2-3,6,8H,4H2,1H3,(H,11,12)
InChIKey
NJKMZAVDAFBTHK-UHFFFAOYSA-N
Compound name
N-(2-cyano-1-thiophen-2-ylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.05139 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.05867 150.4
[M+Na]+ 217.04061 159.2
[M-H]- 193.04411 154.1
[M+NH4]+ 212.08521 169.6
[M+K]+ 233.01455 156.8
[M+H-H2O]+ 177.04865 137.6
[M+HCOO]- 239.04959 166.1
[M+CH3COO]- 253.06524 195.4
[M+Na-2H]- 215.02606 150.6
[M]+ 194.05084 146.7
[M]- 194.05194 146.7
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

No patent data available for this compound.