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
1
Annotation Hits

0
References

294
Patents

202.11061 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.117886 145.2
[M+Na]+ 225.099828 153.9
[M-H]- 201.103334 147.1
[M+NH4]+ 220.144433 163.4
[M+K]+ 241.073768 150.0
[M+H-H2O]+ 185.107870 139.1
[M+HCOO]- 247.108811 164.9
[M+CH3COO]- 261.124461 186.8
[M+Na-2H]- 223.085276 153.3
[M]+ 202.11006142 143.7
[M]- 202.11115858 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe