CID 24847062

Alpha-hydrazino-m-toluidine dihydrochloride

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

C1=CC(=CC(=C1)N)CNN

InChI

InChI=1S/C7H11N3/c8-7-3-1-2-6(4-7)5-10-9/h1-4,10H,5,8-9H2

InChIKey

NJOPYWLBRPQQHB-UHFFFAOYSA-N

Compound name

3-(hydrazinylmethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 137.09529 Da
Monoisotopic Mass: -0.5
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]+	138.10257	126.2
[M+Na]+	160.08451	132.9
[M-H]-	136.08801	129.2
[M+NH4]+	155.12911	146.6
[M+K]+	176.05845	130.6
[M+H-H2O]+	120.09255	120.0
[M+HCOO]-	182.09349	153.2
[M+CH3COO]-	196.10914	179.9
[M+Na-2H]-	158.06996	133.6
[M]+	137.09474	121.5
[M]-	137.09584	121.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe