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]+ 267.13393 159.6
[M+Na]+ 289.11587 166.5
[M-H]- 265.11937 157.5
[M+NH4]+ 284.16047 174.2
[M+K]+ 305.08981 162.9
[M+H-H2O]+ 249.12391 154.6
[M+HCOO]- 311.12485 172.1
[M+CH3COO]- 325.14050 192.7
[M+Na-2H]- 287.10132 161.3
[M]+ 266.12610 156.7
[M]- 266.12720 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.