CID 81619

7203-92-1

Structural Information

Molecular Formula

C₉H₁₃N₃O

SMILES

CN(C)N=NC1=CC=C(C=C1)OC

InChI

InChI=1S/C9H13N3O/c1-12(2)11-10-8-4-6-9(13-3)7-5-8/h4-7H,1-3H3

InChIKey

QPTMKAGSZAYAPZ-UHFFFAOYSA-N

Compound name

N-[(4-methoxyphenyl)diazenyl]-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 179.10587 Da
Monoisotopic Mass: 3.0
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]+	180.11315	137.1
[M+Na]+	202.09509	144.1
[M-H]-	178.09859	145.2
[M+NH4]+	197.13969	158.4
[M+K]+	218.06903	145.3
[M+H-H2O]+	162.10313	129.5
[M+HCOO]-	224.10407	168.6
[M+CH3COO]-	238.11972	196.4
[M+Na-2H]-	200.08054	145.6
[M]+	179.10532	140.8
[M]-	179.10642	140.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.