CID 115015855

1909325-59-2

Structural Information

Molecular Formula
C8H11N3O2
SMILES
C1CNCC1C2=CC(=O)NC(=O)N2
InChI
InChI=1S/C8H11N3O2/c12-7-3-6(10-8(13)11-7)5-1-2-9-4-5/h3,5,9H,1-2,4H2,(H2,10,11,12,13)
InChIKey
PWENXXBVISENCC-UHFFFAOYSA-N
Compound name
6-pyrrolidin-3-yl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.08513 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09241 138.1
[M+Na]+ 204.07435 146.2
[M-H]- 180.07785 137.1
[M+NH4]+ 199.11895 153.6
[M+K]+ 220.04829 141.1
[M+H-H2O]+ 164.08239 130.4
[M+HCOO]- 226.08333 154.6
[M+CH3COO]- 240.09898 149.2
[M+Na-2H]- 202.05980 141.6
[M]+ 181.08458 131.2
[M]- 181.08568 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.