CID 15538569

1071696-86-0

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

C1=CC(=CC=C1NCCN)O

InChI

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

InChIKey

BFTCOOLIWWXDEJ-UHFFFAOYSA-N

Compound name

4-(2-aminoethylamino)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 152.09496 Da
Monoisotopic Mass: 0.6
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	130.6
[M+Na]+	175.08418	137.2
[M-H]-	151.08768	132.6
[M+NH4]+	170.12878	150.4
[M+K]+	191.05812	134.7
[M+H-H2O]+	135.09222	124.7
[M+HCOO]-	197.09316	155.7
[M+CH3COO]-	211.10881	178.0
[M+Na-2H]-	173.06963	137.7
[M]+	152.09441	127.6
[M]-	152.09551	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe