CID 54593897

2-amino-1-[4-(propan-2-yloxy)phenyl]ethan-1-ol

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

CC(C)OC1=CC=C(C=C1)C(CN)O

InChI

InChI=1S/C11H17NO2/c1-8(2)14-10-5-3-9(4-6-10)11(13)7-12/h3-6,8,11,13H,7,12H2,1-2H3

InChIKey

QWXSKTDBYAVWAF-UHFFFAOYSA-N

Compound name

2-amino-1-(4-propan-2-yloxyphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 195.12593 Da
Monoisotopic Mass: 0.9
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]+	196.133206	145.3
[M+Na]+	218.115148	150.9
[M-H]-	194.118654	147.0
[M+NH4]+	213.159753	163.5
[M+K]+	234.089088	149.2
[M+H-H2O]+	178.123190	139.2
[M+HCOO]-	240.124131	166.5
[M+CH3COO]-	254.139781	185.9
[M+Na-2H]-	216.100596	147.8
[M]+	195.12538142	144.2
[M]-	195.12647858	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe