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]+ 216.10192 146.3
[M+Na]+ 238.08386 155.8
[M-H]- 214.08736 148.8
[M+NH4]+ 233.12846 164.5
[M+K]+ 254.05780 152.1
[M+H-H2O]+ 198.09190 139.8
[M+HCOO]- 260.09284 166.2
[M+CH3COO]- 274.10849 188.4
[M+Na-2H]- 236.06931 151.9
[M]+ 215.09409 147.8
[M]- 215.09519 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.