CID 11579555

5-non-1-ynyl-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CCCCCCCC#CC1=CNC(=O)NC1=O
InChI
InChI=1S/C13H18N2O2/c1-2-3-4-5-6-7-8-9-11-10-14-13(17)15-12(11)16/h10H,2-7H2,1H3,(H2,14,15,16,17)
InChIKey
ZEBIFMGPRFHWFI-UHFFFAOYSA-N
Compound name
5-non-1-ynyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 152.7
[M+Na]+ 257.12605 161.9
[M-H]- 233.12955 149.2
[M+NH4]+ 252.17065 165.0
[M+K]+ 273.09999 156.1
[M+H-H2O]+ 217.13409 139.2
[M+HCOO]- 279.13503 165.6
[M+CH3COO]- 293.15068 193.1
[M+Na-2H]- 255.11150 155.4
[M]+ 234.13628 147.0
[M]- 234.13738 147.0
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

No patent data available for this compound.