CID 2767267

303144-44-7

Structural Information

Molecular Formula
C10H13N3O2
SMILES
C1CN(CCC1C(=O)O)C2=NC=CC=N2
InChI
InChI=1S/C10H13N3O2/c14-9(15)8-2-6-13(7-3-8)10-11-4-1-5-12-10/h1,4-5,8H,2-3,6-7H2,(H,14,15)
InChIKey
DYVXURZASBPYFR-UHFFFAOYSA-N
Compound name
1-pyrimidin-2-ylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

89
Patents

207.10077 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10805 146.2
[M+Na]+ 230.08999 151.9
[M-H]- 206.09349 146.7
[M+NH4]+ 225.13459 159.6
[M+K]+ 246.06393 149.0
[M+H-H2O]+ 190.09803 137.0
[M+HCOO]- 252.09897 161.6
[M+CH3COO]- 266.11462 182.0
[M+Na-2H]- 228.07544 151.0
[M]+ 207.10022 141.1
[M]- 207.10132 141.1
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