CID 11976

2,4-diaminoanisole

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

COC1=C(C=C(C=C1)N)N

InChI

InChI=1S/C7H10N2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,8-9H2,1H3

InChIKey

BAHPQISAXRFLCL-UHFFFAOYSA-N

Compound name

4-methoxybenzene-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 35
References: 4694
Patents: 138.07932 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]+	139.08660	126.2
[M+Na]+	161.06854	137.7
[M+NH4]+	156.11314	134.8
[M+K]+	177.04248	132.3
[M-H]-	137.07204	129.4
[M+Na-2H]-	159.05399	133.0
[M]+	138.07877	128.5
[M]-	138.07987	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe