CID 29962

20123-68-6

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

C1CC1NCC(C2=CC(=CC=C2)N)O

InChI

InChI=1S/C11H16N2O/c12-9-3-1-2-8(6-9)11(14)7-13-10-4-5-10/h1-3,6,10-11,13-14H,4-5,7,12H2

InChIKey

UARSNIMTTVZHOM-UHFFFAOYSA-N

Compound name

1-(3-aminophenyl)-2-(cyclopropylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 192.12627 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]+	193.133546	136.2
[M+Na]+	215.115488	143.4
[M-H]-	191.118994	142.0
[M+NH4]+	210.160093	149.6
[M+K]+	231.089428	139.4
[M+H-H2O]+	175.123530	129.8
[M+HCOO]-	237.124471	160.1
[M+CH3COO]-	251.140121	189.6
[M+Na-2H]-	213.100936	141.7
[M]+	192.12572142	135.3
[M]-	192.12681858	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe