CID 14761469

131747-66-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

132.03236 Da
Monoisotopic Mass

0.4
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

No literature data available for this compound.

Patent stripe

patents stripe