CID 81820

7358-61-4

Structural Information

Molecular Formula
C7H10N2O3
SMILES
CC1C(=O)N(C(=O)N(C1=O)C)C
InChI
InChI=1S/C7H10N2O3/c1-4-5(10)8(2)7(12)9(3)6(4)11/h4H,1-3H3
InChIKey
OTSKHUNLOQPIGN-UHFFFAOYSA-N
Compound name
1,3,5-trimethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1137
Patents

170.06914 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.07642 131.8
[M+Na]+ 193.05836 142.6
[M-H]- 169.06186 133.7
[M+NH4]+ 188.10296 150.6
[M+K]+ 209.03230 141.4
[M+H-H2O]+ 153.06640 126.0
[M+HCOO]- 215.06734 151.3
[M+CH3COO]- 229.08299 181.3
[M+Na-2H]- 191.04381 134.9
[M]+ 170.06859 132.1
[M]- 170.06969 132.1
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