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 153.2
[M+Na]+ 262.11622 160.9
[M-H]- 238.11972 152.4
[M+NH4]+ 257.16082 169.4
[M+K]+ 278.09016 157.7
[M+H-H2O]+ 222.12426 147.5
[M+HCOO]- 284.12520 169.4
[M+CH3COO]- 298.14085 193.9
[M+Na-2H]- 260.10167 153.9
[M]+ 239.12645 149.9
[M]- 239.12755 149.9
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.