CID 217947

39929-83-4

Structural Information

Molecular Formula
C8H11N3O2
SMILES
CN1C2=C(CCN2)C(=O)N(C1=O)C
InChI
InChI=1S/C8H11N3O2/c1-10-6-5(3-4-9-6)7(12)11(2)8(10)13/h9H,3-4H2,1-2H3
InChIKey
VHFRLZUKVCVMTH-UHFFFAOYSA-N
Compound name
1,3-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.08513 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09241 136.6
[M+Na]+ 204.07435 148.6
[M-H]- 180.07785 136.9
[M+NH4]+ 199.11895 155.6
[M+K]+ 220.04829 145.0
[M+H-H2O]+ 164.08239 129.9
[M+HCOO]- 226.08333 155.9
[M+CH3COO]- 240.09898 179.0
[M+Na-2H]- 202.05980 141.3
[M]+ 181.08458 137.0
[M]- 181.08568 137.0
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.