CID 6991953

5-cyclopropyluracil

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

C1CC1C2=CNC(=O)NC2=O

InChI

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

InChIKey

KGXDLKKSLKCKNJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 152.05858 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]+	153.06586	133.7
[M+Na]+	175.04780	145.5
[M-H]-	151.05130	136.8
[M+NH4]+	170.09240	146.4
[M+K]+	191.02174	140.0
[M+H-H2O]+	135.05584	126.7
[M+HCOO]-	197.05678	154.7
[M+CH3COO]-	211.07243	172.7
[M+Na-2H]-	173.03325	140.4
[M]+	152.05803	133.6
[M]-	152.05913	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe