CID 170693

42846-91-3

Structural Information

Molecular Formula
C8H12N2O3
SMILES
CC(C)CC1C(=O)NC(=O)NC1=O
InChI
InChI=1S/C8H12N2O3/c1-4(2)3-5-6(11)9-8(13)10-7(5)12/h4-5H,3H2,1-2H3,(H2,9,10,11,12,13)
InChIKey
CZERPPISCPPWRA-UHFFFAOYSA-N
Compound name
5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

184.0848 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.092076 139.9
[M+Na]+ 207.074018 147.2
[M-H]- 183.077524 138.0
[M+NH4]+ 202.118623 155.9
[M+K]+ 223.047958 144.4
[M+H-H2O]+ 167.082060 133.8
[M+HCOO]- 229.083001 155.0
[M+CH3COO]- 243.098651 177.7
[M+Na-2H]- 205.059466 141.4
[M]+ 184.08425142 135.2
[M]- 184.08534858 135.2
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