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]+ 238.11862 153.5
[M+Na]+ 260.10056 159.5
[M-H]- 236.10406 154.3
[M+NH4]+ 255.14516 165.9
[M+K]+ 276.07450 157.0
[M+H-H2O]+ 220.10860 144.2
[M+HCOO]- 282.10954 168.8
[M+CH3COO]- 296.12519 188.3
[M+Na-2H]- 258.08601 157.1
[M]+ 237.11079 150.6
[M]- 237.11189 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