CID 3086279

88280-81-3

Structural Information

Molecular Formula
C13H20N2O4
SMILES
CCCCCCCCOC(=O)C1=CC(=O)NC(=O)N1
InChI
InChI=1S/C13H20N2O4/c1-2-3-4-5-6-7-8-19-12(17)10-9-11(16)15-13(18)14-10/h9H,2-8H2,1H3,(H2,14,15,16,18)
InChIKey
JVCVWBZTXWYZSC-UHFFFAOYSA-N
Compound name
octyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1423 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.149576 161.0
[M+Na]+ 291.131518 168.1
[M-H]- 267.135024 158.9
[M+NH4]+ 286.176123 173.6
[M+K]+ 307.105458 163.9
[M+H-H2O]+ 251.139560 153.2
[M+HCOO]- 313.140501 179.0
[M+CH3COO]- 327.156151 192.0
[M+Na-2H]- 289.116966 163.6
[M]+ 268.14175142 163.3
[M]- 268.14284858 163.3
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.