CID 48411

66940-64-5

Structural Information

Molecular Formula
C13H16N2O3
SMILES
CC(=C)CC1(C(=O)NC(=O)NC1=O)C2CCC=C2
InChI
InChI=1S/C13H16N2O3/c1-8(2)7-13(9-5-3-4-6-9)10(16)14-12(18)15-11(13)17/h3,5,9H,1,4,6-7H2,2H3,(H2,14,15,16,17,18)
InChIKey
WWHBHUFPRYYVDV-UHFFFAOYSA-N
Compound name
5-cyclopent-2-en-1-yl-5-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11609 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 156.9
[M+Na]+ 271.10531 163.3
[M-H]- 247.10881 157.9
[M+NH4]+ 266.14991 173.5
[M+K]+ 287.07925 158.7
[M+H-H2O]+ 231.11335 150.4
[M+HCOO]- 293.11429 171.3
[M+CH3COO]- 307.12994 187.6
[M+Na-2H]- 269.09076 156.1
[M]+ 248.11554 150.4
[M]- 248.11664 150.4
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.