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]+ 232.096816 149.4
[M+Na]+ 254.078758 158.7
[M-H]- 230.082264 151.9
[M+NH4]+ 249.123363 166.9
[M+K]+ 270.052698 155.7
[M+H-H2O]+ 214.086800 142.7
[M+HCOO]- 276.087741 169.6
[M+CH3COO]- 290.103391 190.5
[M+Na-2H]- 252.064206 155.1
[M]+ 231.08899142 152.4
[M]- 231.09008858 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.