CID 1404202

19810-81-2

Structural Information

Molecular Formula

C₉H₁₃N₃O

SMILES

C1CCN(CC1)C2=NC=CC(=O)N2

InChI

InChI=1S/C9H13N3O/c13-8-4-5-10-9(11-8)12-6-2-1-3-7-12/h4-5H,1-3,6-7H2,(H,10,11,13)

InChIKey

RCLPPVGRWSZZNX-UHFFFAOYSA-N

Compound name

2-piperidin-1-yl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 179.10587 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	180.113146	139.4
[M+Na]+	202.095088	145.9
[M-H]-	178.098594	140.0
[M+NH4]+	197.139693	154.2
[M+K]+	218.069028	142.2
[M+H-H2O]+	162.103130	130.4
[M+HCOO]-	224.104071	155.9
[M+CH3COO]-	238.119721	150.4
[M+Na-2H]-	200.080536	145.9
[M]+	179.10532142	133.2
[M]-	179.10641858	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe