CID 492041

Chembl51907

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CN1C(=CC(=O)N(C1=O)C)CC23CCCC2O3
InChI
InChI=1S/C12H16N2O3/c1-13-8(6-10(15)14(2)11(13)16)7-12-5-3-4-9(12)17-12/h6,9H,3-5,7H2,1-2H3
InChIKey
YBOCMTWUCDIEMD-UHFFFAOYSA-N
Compound name
1,3-dimethyl-6-(6-oxabicyclo[3.1.0]hexan-1-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

236.11609 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12337 156.9
[M+Na]+ 259.10531 170.1
[M-H]- 235.10881 164.1
[M+NH4]+ 254.14991 171.3
[M+K]+ 275.07925 167.0
[M+H-H2O]+ 219.11335 150.4
[M+HCOO]- 281.11429 176.5
[M+CH3COO]- 295.12994 193.8
[M+Na-2H]- 257.09076 161.5
[M]+ 236.11554 163.4
[M]- 236.11664 163.4
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.