CID 77003924

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

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C#CCCN1CCC(=O)NC1=O
InChI
InChI=1S/C8H10N2O2/c1-2-3-5-10-6-4-7(11)9-8(10)12/h1H,3-6H2,(H,9,11,12)
InChIKey
GEUYYQXZNIHFSK-UHFFFAOYSA-N
Compound name
1-but-3-ynyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.07423 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 131.9
[M+Na]+ 189.06345 140.7
[M-H]- 165.06695 129.7
[M+NH4]+ 184.10805 146.9
[M+K]+ 205.03739 137.2
[M+H-H2O]+ 149.07149 119.2
[M+HCOO]- 211.07243 143.9
[M+CH3COO]- 225.08808 183.9
[M+Na-2H]- 187.04890 135.2
[M]+ 166.07368 122.8
[M]- 166.07478 122.8
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.