CID 16227474

1-(5-cyanopyridin-2-yl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C12H13N3O2
SMILES
C1CN(CCC1C(=O)O)C2=NC=C(C=C2)C#N
InChI
InChI=1S/C12H13N3O2/c13-7-9-1-2-11(14-8-9)15-5-3-10(4-6-15)12(16)17/h1-2,8,10H,3-6H2,(H,16,17)
InChIKey
DKTWMVJYYKLZRD-UHFFFAOYSA-N
Compound name
1-(5-cyanopyridin-2-yl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

231.10077 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10805 155.1
[M+Na]+ 254.08999 166.3
[M+NH4]+ 249.13459 158.5
[M+K]+ 270.06393 157.6
[M-H]- 230.09349 149.5
[M+Na-2H]- 252.07544 158.2
[M]+ 231.10022 154.1
[M]- 231.10132 154.1
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