CID 81938

7435-61-2

Structural Information

Molecular Formula
C10H16N2O3
SMILES
CC(C)CC1C(=O)N(C(=O)N(C1=O)C)C
InChI
InChI=1S/C10H16N2O3/c1-6(2)5-7-8(13)11(3)10(15)12(4)9(7)14/h6-7H,5H2,1-4H3
InChIKey
NFQAQKVFBFWVKQ-UHFFFAOYSA-N
Compound name
1,3-dimethyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

461
Patents

212.11609 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.123366 144.9
[M+Na]+ 235.105308 154.1
[M-H]- 211.108814 146.3
[M+NH4]+ 230.149913 161.9
[M+K]+ 251.079248 152.6
[M+H-H2O]+ 195.113350 138.7
[M+HCOO]- 257.114291 162.4
[M+CH3COO]- 271.129941 191.3
[M+Na-2H]- 233.090756 145.2
[M]+ 212.11554142 145.6
[M]- 212.11663858 145.6
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