CID 117758222

Acloproxalap

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

CC(C)(C1=NC2=CC=CC=C2C=C1N)O

InChI

InChI=1S/C12H14N2O/c1-12(2,15)11-9(13)7-8-5-3-4-6-10(8)14-11/h3-7,15H,13H2,1-2H3

InChIKey

NOFRQDXKZDAYGB-UHFFFAOYSA-N

Compound name

2-(3-aminoquinolin-2-yl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 62
Patents: 202.11061 Da
Monoisotopic Mass: 1.8
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]+	203.11789	144.4
[M+Na]+	225.09983	157.4
[M+NH4]+	220.14443	152.9
[M+K]+	241.07377	151.4
[M-H]-	201.10333	146.6
[M+Na-2H]-	223.08528	151.2
[M]+	202.11006	146.9
[M]-	202.11116	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe