CID 10261452

56436-25-0

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

COCCNC1=CC=CC=C1N

InChI

InChI=1S/C9H14N2O/c1-12-7-6-11-9-5-3-2-4-8(9)10/h2-5,11H,6-7,10H2,1H3

InChIKey

KMEAJFHRQKGXHE-UHFFFAOYSA-N

Compound name

2-N-(2-methoxyethyl)benzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 166.11061 Da
Monoisotopic Mass: 1.1
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]+	167.11789	134.9
[M+Na]+	189.09983	141.4
[M-H]-	165.10333	138.1
[M+NH4]+	184.14443	154.8
[M+K]+	205.07377	139.6
[M+H-H2O]+	149.10787	128.5
[M+HCOO]-	211.10881	161.1
[M+CH3COO]-	225.12446	183.6
[M+Na-2H]-	187.08528	141.9
[M]+	166.11006	134.1
[M]-	166.11116	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe