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

literature stripe

Patent stripe

patents stripe