CID 19432906

Schembl6848182

Structural Information

Molecular Formula

C₁₂H₁₃NO

SMILES

CCC(C1=NC2=CC=CC=C2C=C1)O

InChI

InChI=1S/C12H13NO/c1-2-12(14)11-8-7-9-5-3-4-6-10(9)13-11/h3-8,12,14H,2H2,1H3

InChIKey

NZUSIRTZUGQDDG-UHFFFAOYSA-N

Compound name

1-quinolin-2-ylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 187.09972 Da
Monoisotopic Mass: 2.3
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]+	188.10700	140.1
[M+Na]+	210.08894	147.9
[M-H]-	186.09244	141.9
[M+NH4]+	205.13354	159.0
[M+K]+	226.06288	144.4
[M+H-H2O]+	170.09698	133.5
[M+HCOO]-	232.09792	160.0
[M+CH3COO]-	246.11357	181.8
[M+Na-2H]-	208.07439	147.7
[M]+	187.09917	139.7
[M]-	187.10027	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe