CID 231599

N-(cyanomethyl)-2-phenylacetamide

Structural Information

Molecular Formula
C10H10N2O
SMILES
C1=CC=C(C=C1)CC(=O)NCC#N
InChI
InChI=1S/C10H10N2O/c11-6-7-12-10(13)8-9-4-2-1-3-5-9/h1-5H,7-8H2,(H,12,13)
InChIKey
VTGAHHSISUODFE-UHFFFAOYSA-N
Compound name
N-(cyanomethyl)-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

174.07932 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 140.5
[M+Na]+ 197.06854 148.8
[M-H]- 173.07204 143.4
[M+NH4]+ 192.11314 158.1
[M+K]+ 213.04248 145.9
[M+H-H2O]+ 157.07658 127.7
[M+HCOO]- 219.07752 161.3
[M+CH3COO]- 233.09317 193.9
[M+Na-2H]- 195.05399 146.4
[M]+ 174.07877 134.8
[M]- 174.07987 134.8
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.