CID 49981

5862-77-1

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CCOC1=C(C=C(C=C1)N)N

InChI

InChI=1S/C8H12N2O/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5H,2,9-10H2,1H3

InChIKey

NQHVJMJEWQQXBS-UHFFFAOYSA-N

Compound name

4-ethoxybenzene-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 1410
Patents: 152.09496 Da
Monoisotopic Mass: 0.9
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]+	153.10224	130.9
[M+Na]+	175.08418	138.9
[M-H]-	151.08768	134.2
[M+NH4]+	170.12878	151.4
[M+K]+	191.05812	136.9
[M+H-H2O]+	135.09222	125.0
[M+HCOO]-	197.09316	156.8
[M+CH3COO]-	211.10881	181.1
[M+Na-2H]-	173.06963	136.6
[M]+	152.09441	129.1
[M]-	152.09551	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe