CID 48794

66968-80-7

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)C(C)(CC)C#C
InChI
InChI=1S/C12H16N2O3/c1-5-11(4,6-2)12(7-3)8(15)13-10(17)14-9(12)16/h1H,6-7H2,2-4H3,(H2,13,14,15,16,17)
InChIKey
PZFQRORITBMMSS-UHFFFAOYSA-N
Compound name
5-ethyl-5-(3-methylpent-1-yn-3-yl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

236.11609 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12337 151.8
[M+Na]+ 259.10531 160.6
[M+NH4]+ 254.14991 154.1
[M+K]+ 275.07925 152.4
[M-H]- 235.10881 141.3
[M+Na-2H]- 257.09076 151.7
[M]+ 236.11554 149.0
[M]- 236.11664 149.0
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