CID 20367227

4-(hydrazinylmethyl)benzonitrile hydrochloride

Structural Information

Molecular Formula

C₈H₉N₃

SMILES

C1=CC(=CC=C1CNN)C#N

InChI

InChI=1S/C8H9N3/c9-5-7-1-3-8(4-2-7)6-11-10/h1-4,11H,6,10H2

InChIKey

IFFKJNUVHWQCCD-UHFFFAOYSA-N

Compound name

4-(hydrazinylmethyl)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 147.07965 Da
Monoisotopic Mass: 0.3
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]+	148.086926	133.1
[M+Na]+	170.068868	142.0
[M-H]-	146.072374	135.9
[M+NH4]+	165.113473	151.4
[M+K]+	186.042808	139.2
[M+H-H2O]+	130.076910	120.6
[M+HCOO]-	192.077851	155.2
[M+CH3COO]-	206.093501	192.2
[M+Na-2H]-	168.054316	139.7
[M]+	147.07910142	125.5
[M]-	147.08019858	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe