CID 57370219

15788-14-4

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

C1=CC(=C(C=C1CCO)N)N

InChI

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

InChIKey

JBRDLNMAUMZCPN-UHFFFAOYSA-N

Compound name

2-(3,4-diaminophenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 152.09496 Da
Monoisotopic Mass: -0.2
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	131.3
[M+Na]+	175.08418	138.9
[M-H]-	151.08768	133.2
[M+NH4]+	170.12878	151.1
[M+K]+	191.05812	136.0
[M+H-H2O]+	135.09222	125.7
[M+HCOO]-	197.09316	155.7
[M+CH3COO]-	211.10881	178.6
[M+Na-2H]-	173.06963	136.5
[M]+	152.09441	127.6
[M]-	152.09551	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe