CID 12919806

70416-53-4

Structural Information

Molecular Formula
C7H4N2O
SMILES
C1=C(C=NC=C1C#N)C=O
InChI
InChI=1S/C7H4N2O/c8-2-6-1-7(5-10)4-9-3-6/h1,3-5H
InChIKey
RWPAJIVRGSWZAB-UHFFFAOYSA-N
Compound name
5-formylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

132.03236 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.03964 123.4
[M+Na]+ 155.02158 134.5
[M-H]- 131.02508 125.5
[M+NH4]+ 150.06618 141.9
[M+K]+ 170.99552 132.0
[M+H-H2O]+ 115.02962 110.6
[M+HCOO]- 177.03056 143.9
[M+CH3COO]- 191.04621 184.6
[M+Na-2H]- 153.00703 131.4
[M]+ 132.03181 118.9
[M]- 132.03291 118.9
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