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

4
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	131.0
[M+Na]+	191.04272	141.5
[M-H]-	167.04622	129.8
[M+NH4]+	186.08732	150.1
[M+K]+	207.01666	137.2
[M+H-H2O]+	151.05076	125.5
[M+HCOO]-	213.05170	149.3
[M+CH3COO]-	227.06735	169.1
[M+Na-2H]-	189.02817	136.3
[M]+	168.05295	128.0
[M]-	168.05405	128.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.