CID 3959259

1-[(pyridin-3-yl)methyl]piperidine-4-carboxylic acid dihydrochloride

Structural Information

Molecular Formula
C12H16N2O2
SMILES
C1CN(CCC1C(=O)O)CC2=CN=CC=C2
InChI
InChI=1S/C12H16N2O2/c15-12(16)11-3-6-14(7-4-11)9-10-2-1-5-13-8-10/h1-2,5,8,11H,3-4,6-7,9H2,(H,15,16)
InChIKey
TVWPPUXVVVXIDU-UHFFFAOYSA-N
Compound name
1-(pyridin-3-ylmethyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12119 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 150.3
[M+Na]+ 243.11041 155.1
[M-H]- 219.11391 151.9
[M+NH4]+ 238.15501 164.6
[M+K]+ 259.08435 152.0
[M+H-H2O]+ 203.11845 141.6
[M+HCOO]- 265.11939 166.5
[M+CH3COO]- 279.13504 185.1
[M+Na-2H]- 241.09586 154.1
[M]+ 220.12064 145.4
[M]- 220.12174 145.4
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

No patent data available for this compound.