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

178
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

No literature data available for this compound.

Patent stripe

patents stripe