CID 495967

Nsc675361

Structural Information

Molecular Formula
C10H14N2O4
SMILES
CC1=CN(C(=O)NC1=O)C2C(CC2O)CO
InChI
InChI=1S/C10H14N2O4/c1-5-3-12(10(16)11-9(5)15)8-6(4-13)2-7(8)14/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)
InChIKey
LPPJTBCAQADZDM-UHFFFAOYSA-N
Compound name
1-[2-hydroxy-4-(hydroxymethyl)cyclobutyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.09535 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10263 148.6
[M+Na]+ 249.08457 156.8
[M-H]- 225.08807 149.4
[M+NH4]+ 244.12917 156.2
[M+K]+ 265.05851 156.1
[M+H-H2O]+ 209.09261 136.2
[M+HCOO]- 271.09355 164.7
[M+CH3COO]- 285.10920 186.8
[M+Na-2H]- 247.07002 150.3
[M]+ 226.09480 156.1
[M]- 226.09590 156.1
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.