CID 1478856

1-(2-pyrimidinyl)tetrahydro-4(1h)-pyridinone

Structural Information

Molecular Formula
C9H11N3O
SMILES
C1CN(CCC1=O)C2=NC=CC=N2
InChI
InChI=1S/C9H11N3O/c13-8-2-6-12(7-3-8)9-10-4-1-5-11-9/h1,4-5H,2-3,6-7H2
InChIKey
ORFPLVFPQNNBST-UHFFFAOYSA-N
Compound name
1-pyrimidin-2-ylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

177.09021 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.097486 138.3
[M+Na]+ 200.079428 145.2
[M-H]- 176.082934 140.2
[M+NH4]+ 195.124033 153.8
[M+K]+ 216.053368 142.5
[M+H-H2O]+ 160.087470 129.0
[M+HCOO]- 222.088411 156.3
[M+CH3COO]- 236.104061 150.0
[M+Na-2H]- 198.064876 145.3
[M]+ 177.08966142 133.9
[M]- 177.09075858 133.9
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