CID 2737245

212755-83-4

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

205
Patents

149.04768 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.054956 127.6
[M+Na]+ 172.036898 135.7
[M-H]- 148.040404 129.9
[M+NH4]+ 167.081503 147.2
[M+K]+ 188.010838 134.3
[M+H-H2O]+ 132.044940 121.1
[M+HCOO]- 194.045881 151.1
[M+CH3COO]- 208.061531 174.0
[M+Na-2H]- 170.022346 135.3
[M]+ 149.04713142 128.5
[M]- 149.04822858 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

No literature data available for this compound.

Patent stripe

patents stripe