CID 24699542

2-cyano-n-ethyl-n-phenylacetamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

188.09496 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 144.6
[M+Na]+ 211.084178 152.6
[M-H]- 187.087684 148.6
[M+NH4]+ 206.128783 162.3
[M+K]+ 227.058118 150.6
[M+H-H2O]+ 171.092220 131.4
[M+HCOO]- 233.093161 165.5
[M+CH3COO]- 247.108811 199.8
[M+Na-2H]- 209.069626 149.3
[M]+ 188.09441142 140.4
[M]- 188.09550858 140.4
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