CID 10192722

1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-4-one

Structural Information

Molecular Formula
C12H15N3O2
SMILES
CC1=C(C(=NC=N1)C)C(=O)N2CCC(=O)CC2
InChI
InChI=1S/C12H15N3O2/c1-8-11(9(2)14-7-13-8)12(17)15-5-3-10(16)4-6-15/h7H,3-6H2,1-2H3
InChIKey
AJHNINIQLLSGRM-UHFFFAOYSA-N
Compound name
1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

233.11642 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.123696 153.7
[M+Na]+ 256.105638 161.2
[M-H]- 232.109144 156.1
[M+NH4]+ 251.150243 167.4
[M+K]+ 272.079578 158.2
[M+H-H2O]+ 216.113680 144.5
[M+HCOO]- 278.114621 170.2
[M+CH3COO]- 292.130271 191.4
[M+Na-2H]- 254.091086 156.5
[M]+ 233.11587142 151.2
[M]- 233.11696858 151.2
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