CID 509505

1-[(1s,2s,5r)-5-(hydroxymethyl)-2-bicyclo[3.1.0]hex-3-enyl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C12H14N2O3
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@]3([C@@H]2C3)CO
InChI
InChI=1S/C12H14N2O3/c1-7-5-14(11(17)13-10(7)16)9-2-3-12(6-15)4-8(9)12/h2-3,5,8-9,15H,4,6H2,1H3,(H,13,16,17)/t8-,9+,12-/m1/s1
InChIKey
QPYQVQQWMIJOQF-VDDIYKPWSA-N
Compound name
1-[(1S,2S,5R)-5-(hydroxymethyl)-2-bicyclo[3.1.0]hex-3-enyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

234.10045 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 154.6
[M+Na]+ 257.08967 167.8
[M-H]- 233.09317 158.9
[M+NH4]+ 252.13427 169.0
[M+K]+ 273.06361 161.6
[M+H-H2O]+ 217.09771 148.9
[M+HCOO]- 279.09865 173.8
[M+CH3COO]- 293.11430 188.7
[M+Na-2H]- 255.07512 158.9
[M]+ 234.09990 158.4
[M]- 234.10100 158.4
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.