CID 21218471

3-(quinolin-4-yl)propan-1-ol

Structural Information

Molecular Formula

C₁₂H₁₃NO

SMILES

C1=CC=C2C(=C1)C(=CC=N2)CCCO

InChI

InChI=1S/C12H13NO/c14-9-3-4-10-7-8-13-12-6-2-1-5-11(10)12/h1-2,5-8,14H,3-4,9H2

InChIKey

JCOQCMUTFYREPZ-UHFFFAOYSA-N

Compound name

3-quinolin-4-ylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 187.09972 Da
Monoisotopic Mass: 2.2
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]+	188.106996	139.8
[M+Na]+	210.088938	147.9
[M-H]-	186.092444	141.5
[M+NH4]+	205.133543	158.7
[M+K]+	226.062878	143.9
[M+H-H2O]+	170.096980	133.0
[M+HCOO]-	232.097921	160.7
[M+CH3COO]-	246.113571	181.0
[M+Na-2H]-	208.074386	148.6
[M]+	187.09917142	140.0
[M]-	187.10026858	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe