CID 137321798

66968-46-5

Structural Information

Molecular Formula
C11H17N3O2
SMILES
CCC1(C(=O)NC(=N)NC1=O)CC=C(C)C
InChI
InChI=1S/C11H17N3O2/c1-4-11(6-5-7(2)3)8(15)13-10(12)14-9(11)16/h5H,4,6H2,1-3H3,(H3,12,13,14,15,16)
InChIKey
WGGNBWUUWRPJTF-UHFFFAOYSA-N
Compound name
5-ethyl-2-imino-5-(3-methylbut-2-enyl)-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.13208 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.13936 153.4
[M+Na]+ 246.12130 161.4
[M+NH4]+ 241.16590 159.2
[M+K]+ 262.09524 155.5
[M-H]- 222.12480 151.5
[M+Na-2H]- 244.10675 155.6
[M]+ 223.13153 153.5
[M]- 223.13263 153.5
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.