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

117
Patents

177.09021 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09749 138.3
[M+Na]+ 200.07943 145.2
[M-H]- 176.08293 140.2
[M+NH4]+ 195.12403 153.8
[M+K]+ 216.05337 142.5
[M+H-H2O]+ 160.08747 129.0
[M+HCOO]- 222.08841 156.3
[M+CH3COO]- 236.10406 150.0
[M+Na-2H]- 198.06488 145.3
[M]+ 177.08966 133.9
[M]- 177.09076 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