CID 48408

66940-61-2

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CC(C)CC1(C(=O)NC(=O)NC1=O)C2CCC=C2
InChI
InChI=1S/C13H18N2O3/c1-8(2)7-13(9-5-3-4-6-9)10(16)14-12(18)15-11(13)17/h3,5,8-9H,4,6-7H2,1-2H3,(H2,14,15,16,17,18)
InChIKey
FXJHZYJGXPWKPZ-UHFFFAOYSA-N
Compound name
5-cyclopent-2-en-1-yl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.13174 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13902 159.6
[M+Na]+ 273.12096 168.0
[M+NH4]+ 268.16556 166.2
[M+K]+ 289.09490 163.8
[M-H]- 249.12446 158.9
[M+Na-2H]- 271.10641 162.8
[M]+ 250.13119 160.2
[M]- 250.13229 160.2
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.