CID 88424

20241-03-6

Structural Information

Molecular Formula

C₉H₁₃N₃

SMILES

CC1=CC(=CC=C1)N=NN(C)C

InChI

InChI=1S/C9H13N3/c1-8-5-4-6-9(7-8)10-11-12(2)3/h4-7H,1-3H3

InChIKey

FQSKSHNJOFUZJJ-UHFFFAOYSA-N

Compound name

N-methyl-N-[(3-methylphenyl)diazenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 163.11095 Da
Monoisotopic Mass: 2.9
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]+	164.118226	134.0
[M+Na]+	186.100168	141.1
[M-H]-	162.103674	142.1
[M+NH4]+	181.144773	156.1
[M+K]+	202.074108	141.8
[M+H-H2O]+	146.108210	126.7
[M+HCOO]-	208.109151	165.3
[M+CH3COO]-	222.124801	194.4
[M+Na-2H]-	184.085616	142.6
[M]+	163.11040142	136.3
[M]-	163.11149858	136.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.