CID 50653

Brn 0251361

Structural Information

Molecular Formula
C13H18N2O4
SMILES
CC(C)(C)C(=O)CC1(C(=O)NC(=O)NC1=O)CC=C
InChI
InChI=1S/C13H18N2O4/c1-5-6-13(7-8(16)12(2,3)4)9(17)14-11(19)15-10(13)18/h5H,1,6-7H2,2-4H3,(H2,14,15,17,18,19)
InChIKey
GUDLRUGAKJTKDZ-UHFFFAOYSA-N
Compound name
5-(3,3-dimethyl-2-oxobutyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.12665 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.133926 159.6
[M+Na]+ 289.115868 166.5
[M-H]- 265.119374 157.5
[M+NH4]+ 284.160473 174.2
[M+K]+ 305.089808 162.9
[M+H-H2O]+ 249.123910 154.6
[M+HCOO]- 311.124851 172.1
[M+CH3COO]- 325.140501 192.7
[M+Na-2H]- 287.101316 161.3
[M]+ 266.12610142 156.7
[M]- 266.12719858 156.7
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.