CID 211176

22588-89-2

Structural Information

Molecular Formula
C11H17N3O3
SMILES
CC(CC1(C(=O)NC(=O)N(C1=O)C)CC=C)N
InChI
InChI=1S/C11H17N3O3/c1-4-5-11(6-7(2)12)8(15)13-10(17)14(3)9(11)16/h4,7H,1,5-6,12H2,2-3H3,(H,13,15,17)
InChIKey
WVSFBHHQFUKULN-UHFFFAOYSA-N
Compound name
5-(2-aminopropyl)-1-methyl-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

239.127 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13428 155.6
[M+Na]+ 262.11622 163.7
[M+NH4]+ 257.16082 161.0
[M+K]+ 278.09016 158.4
[M-H]- 238.11972 153.5
[M+Na-2H]- 260.10167 157.3
[M]+ 239.12645 155.6
[M]- 239.12755 155.6
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.