CID 2737245

2-(pyridin-2-yl)malonaldehyde

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1=CC=NC(=C1)C(C=O)C=O
InChI
InChI=1S/C8H7NO2/c10-5-7(6-11)8-3-1-2-4-9-8/h1-7H
InChIKey
ZQMMLUFYTCOQTB-UHFFFAOYSA-N
Compound name
2-pyridin-2-ylpropanedial
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

149.04768 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05496 129.2
[M+Na]+ 172.03690 142.0
[M+NH4]+ 167.08150 137.0
[M+K]+ 188.01084 136.0
[M-H]- 148.04040 130.1
[M+Na-2H]- 170.02235 136.3
[M]+ 149.04713 131.1
[M]- 149.04823 131.1
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