CID 668298

N-benzyl-2-cyanoacetamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

177
Patents

174.07932 Da
Monoisotopic Mass

1.1
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

literature stripe

Patent stripe

patents stripe