CID 12180889

4-cyanopyridine-3-carboxylic acid

Structural Information

Molecular Formula
C7H4N2O2
SMILES
C1=CN=CC(=C1C#N)C(=O)O
InChI
InChI=1S/C7H4N2O2/c8-3-5-1-2-9-4-6(5)7(10)11/h1-2,4H,(H,10,11)
InChIKey
JAKDLDWUKSYREG-UHFFFAOYSA-N
Compound name
4-cyanopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

148.02728 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.03456 128.6
[M+Na]+ 171.01650 138.9
[M-H]- 147.02000 129.6
[M+NH4]+ 166.06110 145.7
[M+K]+ 186.99044 136.7
[M+H-H2O]+ 131.02454 115.9
[M+HCOO]- 193.02548 147.1
[M+CH3COO]- 207.04113 184.9
[M+Na-2H]- 169.00195 134.9
[M]+ 148.02673 123.1
[M]- 148.02783 123.1
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