CID 9570718

Cinchoninic acid, 2-formyl-, methylhydrazone, monohydrate

Structural Information

Molecular Formula
C12H11N3O2
SMILES
CN/N=C/C1=NC2=CC=CC=C2C(=C1)C(=O)O
InChI
InChI=1S/C12H11N3O2/c1-13-14-7-8-6-10(12(16)17)9-4-2-3-5-11(9)15-8/h2-7,13H,1H3,(H,16,17)/b14-7+
InChIKey
PTUVGRPZZXSDKW-VGOFMYFVSA-N
Compound name
2-[(E)-(methylhydrazinylidene)methyl]quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.08513 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.092406 148.0
[M+Na]+ 252.074348 155.9
[M-H]- 228.077854 151.5
[M+NH4]+ 247.118953 165.2
[M+K]+ 268.048288 152.6
[M+H-H2O]+ 212.082390 140.3
[M+HCOO]- 274.083331 172.0
[M+CH3COO]- 288.098981 195.3
[M+Na-2H]- 250.059796 156.2
[M]+ 229.08458142 148.3
[M]- 229.08567858 148.3
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.