CID 655810

1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C12H17N3O2
SMILES
CC1=CC(=NC(=N1)N2CCC(CC2)C(=O)O)C
InChI
InChI=1S/C12H17N3O2/c1-8-7-9(2)14-12(13-8)15-5-3-10(4-6-15)11(16)17/h7,10H,3-6H2,1-2H3,(H,16,17)
InChIKey
HKGJIAQYOSHPHU-UHFFFAOYSA-N
Compound name
1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

6
Patents

235.13208 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.13936 155.1
[M+Na]+ 258.12130 167.3
[M+NH4]+ 253.16590 161.5
[M+K]+ 274.09524 162.1
[M-H]- 234.12480 156.3
[M+Na-2H]- 256.10675 160.5
[M]+ 235.13153 157.0
[M]- 235.13263 157.0
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