CID 85930828

2-(1,2,3,4-tetrahydroquinolin-2-yl)ethan-1-ol

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

C1CC2=CC=CC=C2NC1CCO

InChI

InChI=1S/C11H15NO/c13-8-7-10-6-5-9-3-1-2-4-11(9)12-10/h1-4,10,12-13H,5-8H2

InChIKey

XYKHXADEXVAGSF-UHFFFAOYSA-N

Compound name

2-(1,2,3,4-tetrahydroquinolin-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 177.11537 Da
Monoisotopic Mass: 2.0
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]+	178.12265	138.8
[M+Na]+	200.10459	144.8
[M-H]-	176.10809	138.5
[M+NH4]+	195.14919	157.2
[M+K]+	216.07853	140.6
[M+H-H2O]+	160.11263	132.5
[M+HCOO]-	222.11357	155.6
[M+CH3COO]-	236.12922	176.0
[M+Na-2H]-	198.09004	145.6
[M]+	177.11482	133.9
[M]-	177.11592	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe