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]+ 237.12337 152.1
[M+Na]+ 259.10531 160.8
[M-H]- 235.10881 153.9
[M+NH4]+ 254.14991 166.1
[M+K]+ 275.07925 156.1
[M+H-H2O]+ 219.11335 144.2
[M+HCOO]- 281.11429 169.5
[M+CH3COO]- 295.12994 186.6
[M+Na-2H]- 257.09076 155.4
[M]+ 236.11554 149.4
[M]- 236.11664 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.