CID 40983

Amiterol

Structural Information

Molecular Formula

C₁₂H₂₀N₂O

SMILES

CCC(C)NCC(C1=CC=C(C=C1)N)O

InChI

InChI=1S/C12H20N2O/c1-3-9(2)14-8-12(15)10-4-6-11(13)7-5-10/h4-7,9,12,14-15H,3,8,13H2,1-2H3

InChIKey

UWYLQWLJGMLJQF-UHFFFAOYSA-N

Compound name

1-(4-aminophenyl)-2-(butan-2-ylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 124
Patents: 208.15756 Da
Monoisotopic Mass: 1.3
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]+	209.16484	150.2
[M+Na]+	231.14678	159.3
[M+NH4]+	226.19138	157.5
[M+K]+	247.12072	154.2
[M-H]-	207.15028	152.4
[M+Na-2H]-	229.13223	155.0
[M]+	208.15701	151.8
[M]-	208.15811	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe