CID 139596941

Descyclohexene-hydroxy-lenacil

Structural Information

Molecular Formula

C₇H₈N₂O₃

SMILES

C1CC2=C(C1O)C(=O)NC(=O)N2

InChI

InChI=1S/C7H8N2O3/c10-4-2-1-3-5(4)6(11)9-7(12)8-3/h4,10H,1-2H2,(H2,8,9,11,12)

InChIKey

RMQMWGIBFQPOEC-UHFFFAOYSA-N

Compound name

5-hydroxy-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 168.0535 Da
Monoisotopic Mass: -1.4
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]+	169.06078	132.1
[M+Na]+	191.04272	143.1
[M+NH4]+	186.08732	138.5
[M+K]+	207.01666	140.9
[M-H]-	167.04622	130.4
[M+Na-2H]-	189.02817	134.9
[M]+	168.05295	132.7
[M]-	168.05405	132.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.