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]+ 237.12337 151.9
[M+Na]+ 259.10531 160.1
[M-H]- 235.10881 154.7
[M+NH4]+ 254.14991 170.3
[M+K]+ 275.07925 156.7
[M+H-H2O]+ 219.11335 145.4
[M+HCOO]- 281.11429 169.0
[M+CH3COO]- 295.12994 188.1
[M+Na-2H]- 257.09076 152.7
[M]+ 236.11554 148.7
[M]- 236.11664 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.