CID 261414

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

Structural Information

Molecular Formula
C11H12N2O
SMILES
C1=CC=C(C=C1)CCNC(=O)CC#N
InChI
InChI=1S/C11H12N2O/c12-8-6-11(14)13-9-7-10-4-2-1-3-5-10/h1-5H,6-7,9H2,(H,13,14)
InChIKey
OQQDNRCAXZQBCE-UHFFFAOYSA-N
Compound name
2-cyano-N-(2-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

58
Patents

188.09496 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 144.4
[M+Na]+ 211.08418 152.4
[M-H]- 187.08768 147.2
[M+NH4]+ 206.12878 161.6
[M+K]+ 227.05812 149.2
[M+H-H2O]+ 171.09222 131.5
[M+HCOO]- 233.09316 165.0
[M+CH3COO]- 247.10881 196.7
[M+Na-2H]- 209.06963 149.9
[M]+ 188.09441 139.1
[M]- 188.09551 139.1
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