CID 13074

780-59-6

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CN1C(=O)C(C(=O)NC1=O)(CC=C)CC=C
InChI
InChI=1S/C11H14N2O3/c1-4-6-11(7-5-2)8(14)12-10(16)13(3)9(11)15/h4-5H,1-2,6-7H2,3H3,(H,12,14,16)
InChIKey
FXHBIVKHYQDNOX-UHFFFAOYSA-N
Compound name
1-methyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

222.10045 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 146.3
[M+Na]+ 245.08967 155.4
[M-H]- 221.09317 146.0
[M+NH4]+ 240.13427 163.8
[M+K]+ 261.06361 151.5
[M+H-H2O]+ 205.09771 140.8
[M+HCOO]- 267.09865 163.4
[M+CH3COO]- 281.11430 187.5
[M+Na-2H]- 243.07512 148.9
[M]+ 222.09990 144.7
[M]- 222.10100 144.7
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

patents stripe