CID 6918822

766454-72-2

Structural Information

Molecular Formula

C₁₄H₁₄N₂O

SMILES

CN(CC#C)CC1=C2C=CC=NC2=C(C=C1)O

InChI

InChI=1S/C14H14N2O/c1-3-9-16(2)10-11-6-7-13(17)14-12(11)5-4-8-15-14/h1,4-8,17H,9-10H2,2H3

InChIKey

FQFLPZZATVCNLA-UHFFFAOYSA-N

Compound name

5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 36
References: 137
Patents: 226.11061 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]+	227.11789	153.2
[M+Na]+	249.09983	163.2
[M-H]-	225.10333	154.3
[M+NH4]+	244.14443	168.7
[M+K]+	265.07377	157.4
[M+H-H2O]+	209.10787	139.8
[M+HCOO]-	271.10881	169.1
[M+CH3COO]-	285.12446	201.5
[M+Na-2H]-	247.08528	158.2
[M]+	226.11006	148.5
[M]-	226.11116	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe