CID 20491

4432-34-2

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

C1COCCN1CC(C2=CC=CC=C2)O

InChI

InChI=1S/C12H17NO2/c14-12(11-4-2-1-3-5-11)10-13-6-8-15-9-7-13/h1-5,12,14H,6-10H2

InChIKey

CKCUWHAMJDWXOH-UHFFFAOYSA-N

Compound name

2-morpholin-4-yl-1-phenylethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 95
Patents: 207.12593 Da
Monoisotopic Mass: 0.5
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]+	208.13321	147.1
[M+Na]+	230.11515	150.7
[M-H]-	206.11865	150.4
[M+NH4]+	225.15975	161.8
[M+K]+	246.08909	149.4
[M+H-H2O]+	190.12319	139.1
[M+HCOO]-	252.12413	163.5
[M+CH3COO]-	266.13978	182.0
[M+Na-2H]-	228.10060	152.3
[M]+	207.12538	142.6
[M]-	207.12648	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe