CID 56770225

2137757-59-4

Structural Information

Molecular Formula
C9H14N4O2
SMILES
CN1C(=O)C=C(NC1=O)N2CCC(C2)N
InChI
InChI=1S/C9H14N4O2/c1-12-8(14)4-7(11-9(12)15)13-3-2-6(10)5-13/h4,6H,2-3,5,10H2,1H3,(H,11,15)
InChIKey
UGJRXUBHLURIGO-UHFFFAOYSA-N
Compound name
6-(3-aminopyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.11168 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11896 145.6
[M+Na]+ 233.10090 155.1
[M-H]- 209.10440 147.5
[M+NH4]+ 228.14550 161.4
[M+K]+ 249.07484 151.1
[M+H-H2O]+ 193.10894 137.5
[M+HCOO]- 255.10988 165.2
[M+CH3COO]- 269.12553 185.0
[M+Na-2H]- 231.08635 147.6
[M]+ 210.11113 141.9
[M]- 210.11223 141.9
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.