CID 510984

1-[(1s,4r,5s)-5-hydroxy-4-(hydroxymethyl)cyclohex-2-en-1-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H14N2O4
SMILES
C1[C@@H](C=C[C@@H]([C@H]1O)CO)N2C=CC(=O)NC2=O
InChI
InChI=1S/C11H14N2O4/c14-6-7-1-2-8(5-9(7)15)13-4-3-10(16)12-11(13)17/h1-4,7-9,14-15H,5-6H2,(H,12,16,17)/t7-,8-,9+/m1/s1
InChIKey
ONRVRYHTLAUKON-HLTSFMKQSA-N
Compound name
1-[(1S,4R,5S)-5-hydroxy-4-(hydroxymethyl)cyclohex-2-en-1-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.09535 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10263 151.1
[M+Na]+ 261.08457 159.6
[M-H]- 237.08807 151.7
[M+NH4]+ 256.12917 164.2
[M+K]+ 277.05851 154.9
[M+H-H2O]+ 221.09261 143.5
[M+HCOO]- 283.09355 167.5
[M+CH3COO]- 297.10920 183.5
[M+Na-2H]- 259.07002 154.5
[M]+ 238.09480 147.7
[M]- 238.09590 147.7
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.