CID 5006670

2-cyano-n-(1-phenylethyl)acetamide

Structural Information

Molecular Formula
C11H12N2O
SMILES
CC(C1=CC=CC=C1)NC(=O)CC#N
InChI
InChI=1S/C11H12N2O/c1-9(13-11(14)7-8-12)10-5-3-2-4-6-10/h2-6,9H,7H2,1H3,(H,13,14)
InChIKey
RZFUCBLCIHIKHV-UHFFFAOYSA-N
Compound name
2-cyano-N-(1-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

188.09496 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 146.0
[M+Na]+ 211.08418 153.7
[M-H]- 187.08768 148.8
[M+NH4]+ 206.12878 163.0
[M+K]+ 227.05812 150.9
[M+H-H2O]+ 171.09222 133.1
[M+HCOO]- 233.09316 165.6
[M+CH3COO]- 247.10881 197.4
[M+Na-2H]- 209.06963 150.2
[M]+ 188.09441 140.1
[M]- 188.09551 140.1
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