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

104
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 150.6
[M+Na]+ 254.08999 158.3
[M-H]- 230.09349 151.5
[M+NH4]+ 249.13459 162.9
[M+K]+ 270.06393 153.9
[M+H-H2O]+ 214.09803 135.6
[M+HCOO]- 276.09897 163.6
[M+CH3COO]- 290.11462 199.1
[M+Na-2H]- 252.07544 153.5
[M]+ 231.10022 141.2
[M]- 231.10132 141.2
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