CID 588295

1,3-dimethyl-1,3-diazinane-2,4-dione

Structural Information

Molecular Formula
C6H10N2O2
SMILES
CN1CCC(=O)N(C1=O)C
InChI
InChI=1S/C6H10N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H2,1-2H3
InChIKey
BVYOHIBNWMCUSW-UHFFFAOYSA-N
Compound name
1,3-dimethyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

142.07423 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.081506 127.4
[M+Na]+ 165.063448 136.5
[M-H]- 141.066954 128.6
[M+NH4]+ 160.108053 146.8
[M+K]+ 181.037388 135.6
[M+H-H2O]+ 125.071490 121.2
[M+HCOO]- 187.072431 146.8
[M+CH3COO]- 201.088081 174.5
[M+Na-2H]- 163.048896 132.2
[M]+ 142.07368142 125.7
[M]- 142.07477858 125.7
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