CID 21540192

5-methylquinoline-8-carboxylic acid

Structural Information

Molecular Formula
C11H9NO2
SMILES
CC1=C2C=CC=NC2=C(C=C1)C(=O)O
InChI
InChI=1S/C11H9NO2/c1-7-4-5-9(11(13)14)10-8(7)3-2-6-12-10/h2-6H,1H3,(H,13,14)
InChIKey
BETDZROERVRCRG-UHFFFAOYSA-N
Compound name
5-methylquinoline-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

187.06332 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.070596 137.2
[M+Na]+ 210.052538 146.6
[M-H]- 186.056044 139.6
[M+NH4]+ 205.097143 156.2
[M+K]+ 226.026478 143.3
[M+H-H2O]+ 170.060580 130.8
[M+HCOO]- 232.061521 157.8
[M+CH3COO]- 246.077171 181.2
[M+Na-2H]- 208.037986 144.6
[M]+ 187.06277142 137.6
[M]- 187.06386858 137.6
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