CID 5273917

Chembl195137

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H](CC=C2)CO
InChI
InChI=1S/C12H16N2O3/c1-8-6-14(12(17)13-11(8)16)10-4-2-3-9(5-10)7-15/h2,4,6,9-10,15H,3,5,7H2,1H3,(H,13,16,17)/t9-,10+/m1/s1
InChIKey
WGFLOAZXCTVXMP-ZJUUUORDSA-N
Compound name
1-[(1R,5R)-5-(hydroxymethyl)cyclohex-2-en-1-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

236.11609 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.123366 152.1
[M+Na]+ 259.105308 160.8
[M-H]- 235.108814 153.9
[M+NH4]+ 254.149913 166.1
[M+K]+ 275.079248 156.1
[M+H-H2O]+ 219.113350 144.2
[M+HCOO]- 281.114291 169.5
[M+CH3COO]- 295.129941 186.6
[M+Na-2H]- 257.090756 155.4
[M]+ 236.11554142 149.4
[M]- 236.11663858 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.