CID 206380

Brn 0648029

Structural Information

Molecular Formula
C11H14N2O2
SMILES
CN1C2=C(CCC2)C(=O)N(C1=O)CC=C
InChI
InChI=1S/C11H14N2O2/c1-3-7-13-10(14)8-5-4-6-9(8)12(2)11(13)15/h3H,1,4-7H2,2H3
InChIKey
BMDPLGJCMIZBJE-UHFFFAOYSA-N
Compound name
1-methyl-3-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.10553 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 142.7
[M+Na]+ 229.09475 154.1
[M-H]- 205.09825 145.3
[M+NH4]+ 224.13935 162.7
[M+K]+ 245.06869 150.2
[M+H-H2O]+ 189.10279 136.2
[M+HCOO]- 251.10373 164.1
[M+CH3COO]- 265.11938 186.8
[M+Na-2H]- 227.08020 146.6
[M]+ 206.10498 144.8
[M]- 206.10608 144.8
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.