CID 45787582

1159816-74-6

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

C1CCC(C1)C2=NC=CC(=O)N2

InChI

InChI=1S/C9H12N2O/c12-8-5-6-10-9(11-8)7-3-1-2-4-7/h5-7H,1-4H2,(H,10,11,12)

InChIKey

LIKXGOMSLBFNCR-UHFFFAOYSA-N

Compound name

2-cyclopentyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 164.09496 Da
Monoisotopic Mass: 0.8
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]+	165.10224	133.8
[M+Na]+	187.08418	141.2
[M-H]-	163.08768	136.3
[M+NH4]+	182.12878	152.6
[M+K]+	203.05812	138.0
[M+H-H2O]+	147.09222	126.2
[M+HCOO]-	209.09316	154.0
[M+CH3COO]-	223.10881	146.4
[M+Na-2H]-	185.06963	138.6
[M]+	164.09441	129.3
[M]-	164.09551	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe