CID 452125

(+-)-cyclobut-u

Structural Information

Molecular Formula
C10H14N2O4
SMILES
C1[C@@H]([C@H]([C@@H]1N2C=CC(=O)NC2=O)CO)CO
InChI
InChI=1S/C10H14N2O4/c13-4-6-3-8(7(6)5-14)12-2-1-9(15)11-10(12)16/h1-2,6-8,13-14H,3-5H2,(H,11,15,16)/t6-,7-,8-/m1/s1
InChIKey
JDMYRKJPHRTOTJ-BWZBUEFSSA-N
Compound name
1-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

226.09535 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10263 148.0
[M+Na]+ 249.08457 155.3
[M-H]- 225.08807 148.4
[M+NH4]+ 244.12917 155.3
[M+K]+ 265.05851 154.6
[M+H-H2O]+ 209.09261 135.3
[M+HCOO]- 271.09355 164.2
[M+CH3COO]- 285.10920 185.5
[M+Na-2H]- 247.07002 150.5
[M]+ 226.09480 155.1
[M]- 226.09590 155.1
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.