CID 23409

Malononitrile, salicylidene-

Structural Information

Molecular Formula

C₁₀H₆N₂O

SMILES

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

InChI

InChI=1S/C10H6N2O/c11-6-8(7-12)5-9-3-1-2-4-10(9)13/h1-5,13H

InChIKey

FHSXHHWBTYNRBD-UHFFFAOYSA-N

Compound name

2-[(2-hydroxyphenyl)methylidene]propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 170.04802 Da
Monoisotopic Mass: 1.6
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]+	171.05530	165.0
[M+Na]+	193.03724	173.6
[M+NH4]+	188.08184	165.6
[M+K]+	209.01118	163.1
[M-H]-	169.04074	154.8
[M+Na-2H]-	191.02269	164.3
[M]+	170.04747	162.0
[M]-	170.04857	162.0

Literature stripe

literature stripe

Patent stripe

patents stripe