CID 48406

66940-59-8

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CCC1(C(=O)NC(=O)N(C1=O)C)C2CCC=C2
InChI
InChI=1S/C12H16N2O3/c1-3-12(8-6-4-5-7-8)9(15)13-11(17)14(2)10(12)16/h4,6,8H,3,5,7H2,1-2H3,(H,13,15,17)
InChIKey
XESSARJYTCZOGB-UHFFFAOYSA-N
Compound name
5-cyclopent-2-en-1-yl-5-ethyl-1-methyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.11609 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.123366 151.9
[M+Na]+ 259.105308 160.1
[M-H]- 235.108814 154.7
[M+NH4]+ 254.149913 170.3
[M+K]+ 275.079248 156.7
[M+H-H2O]+ 219.113350 145.4
[M+HCOO]- 281.114291 169.0
[M+CH3COO]- 295.129941 188.1
[M+Na-2H]- 257.090756 152.7
[M]+ 236.11554142 148.7
[M]- 236.11663858 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.