CID 9815235

2-(2,5-diaminophenyl)ethanol

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

C1=CC(=C(C=C1N)CCO)N

InChI

InChI=1S/C8H12N2O/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5,11H,3-4,9-10H2

InChIKey

KWSVXCAQFTWTEF-UHFFFAOYSA-N

Compound name

2-(2,5-diaminophenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 11061
Patents: 152.09496 Da
Monoisotopic Mass: 0.1
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]+	153.10224	131.0
[M+Na]+	175.08418	141.7
[M+NH4]+	170.12878	139.1
[M+K]+	191.05812	136.3
[M-H]-	151.08768	133.6
[M+Na-2H]-	173.06963	136.9
[M]+	152.09441	132.9
[M]-	152.09551	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe