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: 76
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	145.2
[M+Na]+	225.09983	153.9
[M-H]-	201.10333	147.1
[M+NH4]+	220.14443	163.4
[M+K]+	241.07377	150.0
[M+H-H2O]+	185.10787	139.1
[M+HCOO]-	247.10881	164.9
[M+CH3COO]-	261.12446	186.8
[M+Na-2H]-	223.08528	153.3
[M]+	202.11006	143.7
[M]-	202.11116	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe