CID 2737246

2-(pyridin-4-yl)malonaldehyde

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1=CN=CC=C1C(C=O)C=O
InChI
InChI=1S/C8H7NO2/c10-5-8(6-11)7-1-3-9-4-2-7/h1-6,8H
InChIKey
RYYVVCNGQOENKM-UHFFFAOYSA-N
Compound name
2-pyridin-4-ylpropanedial
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

124
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 127.6
[M+Na]+ 172.03690 135.7
[M-H]- 148.04040 129.9
[M+NH4]+ 167.08150 147.2
[M+K]+ 188.01084 134.3
[M+H-H2O]+ 132.04494 121.1
[M+HCOO]- 194.04588 151.1
[M+CH3COO]- 208.06153 174.0
[M+Na-2H]- 170.02235 135.3
[M]+ 149.04713 128.5
[M]- 149.04823 128.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe