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]+ 153.065856 128.0
[M+Na]+ 175.047798 137.3
[M-H]- 151.051304 126.0
[M+NH4]+ 170.092403 143.6
[M+K]+ 191.021738 134.0
[M+H-H2O]+ 135.055840 115.5
[M+HCOO]- 197.056781 140.4
[M+CH3COO]- 211.072431 181.2
[M+Na-2H]- 173.033246 131.8
[M]+ 152.05803142 118.7
[M]- 152.05912858 118.7
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.