CID 113361

63589-18-4

Structural Information

Molecular Formula

C₇H₇N₃

SMILES

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

InChI

InChI=1S/C7H7N3/c8-5-6-3-1-2-4-7(6)10-9/h1-4,10H,9H2

InChIKey

HINFZKWHKTZDQX-UHFFFAOYSA-N

Compound name

2-hydrazinylbenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 133.064 Da
Monoisotopic Mass: 1.4
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]+	134.07128	131.3
[M+Na]+	156.05322	142.2
[M+NH4]+	151.09782	136.6
[M+K]+	172.02716	133.1
[M-H]-	132.05672	127.3
[M+Na-2H]-	154.03867	135.9
[M]+	133.06345	130.7
[M]-	133.06455	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe