CID 26075

13509-52-9

Structural Information

Molecular Formula
C7H10N2O2
SMILES
CC1=CC(=O)N(C(=O)N1C)C
InChI
InChI=1S/C7H10N2O2/c1-5-4-6(10)9(3)7(11)8(5)2/h4H,1-3H3
InChIKey
GRDXZRWCQWDLPG-UHFFFAOYSA-N
Compound name
1,3,6-trimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

215
Patents

154.07423 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.081506 126.2
[M+Na]+ 177.063448 138.9
[M-H]- 153.066954 128.7
[M+NH4]+ 172.108053 145.8
[M+K]+ 193.037388 137.0
[M+H-H2O]+ 137.071490 120.1
[M+HCOO]- 199.072431 149.6
[M+CH3COO]- 213.088081 177.8
[M+Na-2H]- 175.048896 132.8
[M]+ 154.07368142 129.5
[M]- 154.07477858 129.5
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.