CID 18623426

2044707-11-9

Structural Information

Molecular Formula

C₇H₉N₃O₂

SMILES

C1=CC(=CC=C1CNN)[N+](=O)[O-]

InChI

InChI=1S/C7H9N3O2/c8-9-5-6-1-3-7(4-2-6)10(11)12/h1-4,9H,5,8H2

InChIKey

XUPNPQDJSZKHLN-UHFFFAOYSA-N

Compound name

(4-nitrophenyl)methylhydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 167.06947 Da
Monoisotopic Mass: 0.8
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]+	168.07675	131.1
[M+Na]+	190.05869	142.6
[M+NH4]+	185.10329	139.3
[M+K]+	206.03263	139.7
[M-H]-	166.06219	135.4
[M+Na-2H]-	188.04414	137.9
[M]+	167.06892	133.6
[M]-	167.07002	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe