CID 20119

4164-21-0

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

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

InChI

InChI=1S/C11H17NO/c1-9(2)12-8-11(13)10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3

InChIKey

YANYGOBZUASRHR-UHFFFAOYSA-N

Compound name

1-phenyl-2-(propan-2-ylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 69
Patents: 179.13101 Da
Monoisotopic Mass: 1.4
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]+	180.13829	141.8
[M+Na]+	202.12023	152.4
[M+NH4]+	197.16483	150.0
[M+K]+	218.09417	146.6
[M-H]-	178.12373	143.9
[M+Na-2H]-	200.10568	147.9
[M]+	179.13046	143.7
[M]-	179.13156	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe