CID 2439981

2-(2,4-dimethylquinolin-3-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C13H13NO2
SMILES
CC1=C(C(=NC2=CC=CC=C12)C)CC(=O)O
InChI
InChI=1S/C13H13NO2/c1-8-10-5-3-4-6-12(10)14-9(2)11(8)7-13(15)16/h3-6H,7H2,1-2H3,(H,15,16)
InChIKey
JYHMSZNYJTYETN-UHFFFAOYSA-N
Compound name
2-(2,4-dimethylquinolin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

215.09464 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.101916 146.3
[M+Na]+ 238.083858 155.8
[M-H]- 214.087364 148.8
[M+NH4]+ 233.128463 164.5
[M+K]+ 254.057798 152.1
[M+H-H2O]+ 198.091900 139.8
[M+HCOO]- 260.092841 166.2
[M+CH3COO]- 274.108491 188.4
[M+Na-2H]- 236.069306 151.9
[M]+ 215.09409142 147.8
[M]- 215.09518858 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.