CID 16227667

2-(methoxymethyl)-4-methylquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C13H13NO3
SMILES
CC1=C(C(=NC2=CC=CC=C12)COC)C(=O)O
InChI
InChI=1S/C13H13NO3/c1-8-9-5-3-4-6-10(9)14-11(7-17-2)12(8)13(15)16/h3-6H,7H2,1-2H3,(H,15,16)
InChIKey
NKOZFTCNUWSLCQ-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-4-methylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.08954 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09682 149.4
[M+Na]+ 254.07876 158.7
[M-H]- 230.08226 151.9
[M+NH4]+ 249.12336 166.9
[M+K]+ 270.05270 155.7
[M+H-H2O]+ 214.08680 142.7
[M+HCOO]- 276.08774 169.6
[M+CH3COO]- 290.10339 190.5
[M+Na-2H]- 252.06421 155.1
[M]+ 231.08899 152.4
[M]- 231.09009 152.4
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

No patent data available for this compound.