CID 12276310

21573-06-8

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

C1CC1C2=CC(=O)NC(=O)N2

InChI

InChI=1S/C7H8N2O2/c10-6-3-5(4-1-2-4)8-7(11)9-6/h3-4H,1-2H2,(H2,8,9,10,11)

InChIKey

ABHXYFPEQCXJJJ-UHFFFAOYSA-N

Compound name

6-cyclopropyl-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 152.05858 Da
Monoisotopic Mass: -0.6
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]+	153.06586	132.8
[M+Na]+	175.04780	147.0
[M+NH4]+	170.09240	140.3
[M+K]+	191.02174	143.1
[M-H]-	151.05130	140.4
[M+Na-2H]-	173.03325	141.7
[M]+	152.05803	137.8
[M]-	152.05913	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe