CID 78193013

1-(prop-2-yn-1-yl)-1,3-diazinane-2,4-dione

Structural Information

Molecular Formula
C7H8N2O2
SMILES
C#CCN1CCC(=O)NC1=O
InChI
InChI=1S/C7H8N2O2/c1-2-4-9-5-3-6(10)8-7(9)11/h1H,3-5H2,(H,8,10,11)
InChIKey
OKHNQUGBDMTNKF-UHFFFAOYSA-N
Compound name
1-prop-2-ynyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.05858 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 133.8
[M+Na]+ 175.04780 144.2
[M+NH4]+ 170.09240 136.8
[M+K]+ 191.02174 136.3
[M-H]- 151.05130 125.1
[M+Na-2H]- 173.03325 134.4
[M]+ 152.05803 131.6
[M]- 152.05913 131.6
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.