CID 2737259

2-(2-quinolyl)malondialdehyde

Structural Information

Molecular Formula
C12H9NO2
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C(C=O)C=O
InChI
InChI=1S/C12H9NO2/c14-7-10(8-15)12-6-5-9-3-1-2-4-11(9)13-12/h1-8,10H
InChIKey
BGCDOBZPKOBWHE-UHFFFAOYSA-N
Compound name
2-quinolin-2-ylpropanedial
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

199.06332 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07060 140.3
[M+Na]+ 222.05254 149.1
[M-H]- 198.05604 143.6
[M+NH4]+ 217.09714 159.1
[M+K]+ 238.02648 145.8
[M+H-H2O]+ 182.06058 133.3
[M+HCOO]- 244.06152 162.3
[M+CH3COO]- 258.07717 184.8
[M+Na-2H]- 220.03799 148.4
[M]+ 199.06277 141.8
[M]- 199.06387 141.8
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