CID 6871296

N-[(e)-benzylideneamino]acetamide

Structural Information

Molecular Formula
C9H10N2O
SMILES
CC(=O)N/N=C/C1=CC=CC=C1
InChI
InChI=1S/C9H10N2O/c1-8(12)11-10-7-9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)/b10-7+
InChIKey
GPTBUIMZDZKKLE-JXMROGBWSA-N
Compound name
N-[(E)-benzylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

17
Patents

162.07932 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 133.1
[M+Na]+ 185.06854 139.6
[M-H]- 161.07204 138.1
[M+NH4]+ 180.11314 153.8
[M+K]+ 201.04248 138.3
[M+H-H2O]+ 145.07658 126.5
[M+HCOO]- 207.07752 160.9
[M+CH3COO]- 221.09317 183.4
[M+Na-2H]- 183.05399 141.1
[M]+ 162.07877 132.6
[M]- 162.07987 132.6
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