CID 133743

2377033-39-9

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

C1=CC(=C(C=C1CCN)N)O

InChI

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

InChIKey

TXORYVHZKLWJBK-UHFFFAOYSA-N

Compound name

2-amino-4-(2-aminoethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 35
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]+	153.102236	131.3
[M+Na]+	175.084178	138.9
[M-H]-	151.087684	133.2
[M+NH4]+	170.128783	151.1
[M+K]+	191.058118	136.0
[M+H-H2O]+	135.092220	125.7
[M+HCOO]-	197.093161	155.7
[M+CH3COO]-	211.108811	178.6
[M+Na-2H]-	173.069626	136.5
[M]+	152.09441142	127.6
[M]-	152.09550858	127.6

Literature stripe

literature stripe

Patent stripe

patents stripe