CID 22158359

2-(methylamino)quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C11H10N2O2
SMILES
CNC1=NC2=CC=CC=C2C(=C1)C(=O)O
InChI
InChI=1S/C11H10N2O2/c1-12-10-6-8(11(14)15)7-4-2-3-5-9(7)13-10/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKey
KNZSTODBZIFZMA-UHFFFAOYSA-N
Compound name
2-(methylamino)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

202.07423 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.081506 141.1
[M+Na]+ 225.063448 149.6
[M-H]- 201.066954 143.5
[M+NH4]+ 220.108053 159.2
[M+K]+ 241.037388 146.3
[M+H-H2O]+ 185.071490 134.4
[M+HCOO]- 247.072431 162.8
[M+CH3COO]- 261.088081 186.2
[M+Na-2H]- 223.048896 149.0
[M]+ 202.07368142 140.8
[M]- 202.07477858 140.8
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