CID 458694

100370-05-6

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

C1CC2=CC=CC=C2N(C1)CC(CO)O

InChI

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

InChIKey

BWABCSDNVLLIEQ-UHFFFAOYSA-N

Compound name

3-(3,4-dihydro-2H-quinolin-1-yl)propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 207.12593 Da
Monoisotopic Mass: 1.1
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]+	208.13321	146.8
[M+Na]+	230.11515	158.1
[M+NH4]+	225.15975	155.0
[M+K]+	246.08909	152.0
[M-H]-	206.11865	147.9
[M+Na-2H]-	228.10060	151.4
[M]+	207.12538	148.5
[M]-	207.12648	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe