CID 2377098

2-cyano-n-(4-ethylphenyl)acetamide

Structural Information

Molecular Formula
C11H12N2O
SMILES
CCC1=CC=C(C=C1)NC(=O)CC#N
InChI
InChI=1S/C11H12N2O/c1-2-9-3-5-10(6-4-9)13-11(14)7-8-12/h3-6H,2,7H2,1H3,(H,13,14)
InChIKey
OFPCNHCWVLPAEL-UHFFFAOYSA-N
Compound name
2-cyano-N-(4-ethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

188.09496 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 144.1
[M+Na]+ 211.08418 152.9
[M-H]- 187.08768 147.3
[M+NH4]+ 206.12878 161.6
[M+K]+ 227.05812 149.9
[M+H-H2O]+ 171.09222 131.4
[M+HCOO]- 233.09316 164.7
[M+CH3COO]- 247.10881 197.7
[M+Na-2H]- 209.06963 149.0
[M]+ 188.09441 139.2
[M]- 188.09551 139.2
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