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: 15
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]+	188.10700	140.3
[M+Na]+	210.08894	154.5
[M+NH4]+	205.13354	149.6
[M+K]+	226.06288	147.2
[M-H]-	186.09244	142.8
[M+Na-2H]-	208.07439	147.8
[M]+	187.09917	143.1
[M]-	187.10027	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe