CID 6869220

Acetic acid, cyano-, benzylidenehydrazide

Structural Information

Molecular Formula

C₁₀H₉N₃O

SMILES

C1=CC=C(C=C1)/C=N/NC(=O)CC#N

InChI

InChI=1S/C10H9N3O/c11-7-6-10(14)13-12-8-9-4-2-1-3-5-9/h1-5,8H,6H2,(H,13,14)/b12-8+

InChIKey

INMVSZQSMSATPX-XYOKQWHBSA-N

Compound name

N-[(E)-benzylideneamino]-2-cyanoacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 187.07455 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	188.08183	147.0
[M+Na]+	210.06377	157.2
[M+NH4]+	205.10837	151.2
[M+K]+	226.03771	147.6
[M-H]-	186.06727	142.3
[M+Na-2H]-	208.04922	151.0
[M]+	187.07400	146.0
[M]-	187.07510	146.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.