CID 4640340

(2-methyl-4-nitrophenyl)hydrazine

Structural Information

Molecular Formula

C₇H₉N₃O₂

SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NN

InChI

InChI=1S/C7H9N3O2/c1-5-4-6(10(11)12)2-3-7(5)9-8/h2-4,9H,8H2,1H3

InChIKey

RERPRXPTVXLOFR-UHFFFAOYSA-N

Compound name

(2-methyl-4-nitrophenyl)hydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 167.06947 Da
Monoisotopic Mass: 2.0
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]+	168.076746	129.9
[M+Na]+	190.058688	137.1
[M-H]-	166.062194	133.7
[M+NH4]+	185.103293	149.0
[M+K]+	206.032628	131.4
[M+H-H2O]+	150.066730	128.5
[M+HCOO]-	212.067671	157.7
[M+CH3COO]-	226.083321	177.6
[M+Na-2H]-	188.044136	138.2
[M]+	167.06892142	126.2
[M]-	167.07001858	126.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe