CID 15053143

112646-50-1

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CN1CCCC2=C1C(=CC=C2)CO

InChI

InChI=1S/C11H15NO/c1-12-7-3-6-9-4-2-5-10(8-13)11(9)12/h2,4-5,13H,3,6-8H2,1H3

InChIKey

HURVBRBMKIIXNY-UHFFFAOYSA-N

Compound name

(1-methyl-3,4-dihydro-2H-quinolin-8-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 177.11537 Da
Monoisotopic Mass: 1.6
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	138.3
[M+Na]+	200.10459	145.7
[M-H]-	176.10809	139.9
[M+NH4]+	195.14919	157.8
[M+K]+	216.07853	142.5
[M+H-H2O]+	160.11263	132.0
[M+HCOO]-	222.11357	156.7
[M+CH3COO]-	236.12922	179.7
[M+Na-2H]-	198.09004	144.9
[M]+	177.11482	135.7
[M]-	177.11592	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe