CID 16228258

1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C11H15N3O3
SMILES
COC1=NC(=NC=C1)N2CCC(CC2)C(=O)O
InChI
InChI=1S/C11H15N3O3/c1-17-9-2-5-12-11(13-9)14-6-3-8(4-7-14)10(15)16/h2,5,8H,3-4,6-7H2,1H3,(H,15,16)
InChIKey
COAOFDCPJULLEG-UHFFFAOYSA-N
Compound name
1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

237.11134 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.118616 153.5
[M+Na]+ 260.100558 159.5
[M-H]- 236.104064 154.3
[M+NH4]+ 255.145163 165.9
[M+K]+ 276.074498 157.0
[M+H-H2O]+ 220.108600 144.2
[M+HCOO]- 282.109541 168.8
[M+CH3COO]- 296.125191 188.3
[M+Na-2H]- 258.086006 157.1
[M]+ 237.11079142 150.6
[M]- 237.11188858 150.6
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