CID 19432910

1-(quinolin-2-yl)propan-2-ol

Structural Information

Molecular Formula

C₁₂H₁₃NO

SMILES

CC(CC1=NC2=CC=CC=C2C=C1)O

InChI

InChI=1S/C12H13NO/c1-9(14)8-11-7-6-10-4-2-3-5-12(10)13-11/h2-7,9,14H,8H2,1H3

InChIKey

DKGXPEAAAIRCLU-UHFFFAOYSA-N

Compound name

1-quinolin-2-ylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
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	140.1
[M+Na]+	210.088938	147.9
[M-H]-	186.092444	141.9
[M+NH4]+	205.133543	159.0
[M+K]+	226.062878	144.4
[M+H-H2O]+	170.096980	133.5
[M+HCOO]-	232.097921	160.0
[M+CH3COO]-	246.113571	181.8
[M+Na-2H]-	208.074386	147.7
[M]+	187.09917142	139.7
[M]-	187.10026858	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe