CID 453452

138420-49-2

Structural Information

Molecular Formula
C10H14N2O4
SMILES
C1C(CC1(CO)CO)N2C=CC(=O)NC2=O
InChI
InChI=1S/C10H14N2O4/c13-5-10(6-14)3-7(4-10)12-2-1-8(15)11-9(12)16/h1-2,7,13-14H,3-6H2,(H,11,15,16)
InChIKey
AIRWAARKRQOYEY-UHFFFAOYSA-N
Compound name
1-[3,3-bis(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.09535 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10263 148.9
[M+Na]+ 249.08457 156.4
[M-H]- 225.08807 149.4
[M+NH4]+ 244.12917 158.0
[M+K]+ 265.05851 155.7
[M+H-H2O]+ 209.09261 137.3
[M+HCOO]- 271.09355 165.2
[M+CH3COO]- 285.10920 183.8
[M+Na-2H]- 247.07002 153.3
[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.