CID 453451

138420-48-1

Structural Information

Molecular Formula
C11H16N2O4
SMILES
CC1=CN(C(=O)NC1=O)C2CC(C2)(CO)CO
InChI
InChI=1S/C11H16N2O4/c1-7-4-13(10(17)12-9(7)16)8-2-11(3-8,5-14)6-15/h4,8,14-15H,2-3,5-6H2,1H3,(H,12,16,17)
InChIKey
HSLAVDGKUWSPDP-UHFFFAOYSA-N
Compound name
1-[3,3-bis(hydroxymethyl)cyclobutyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

240.11101 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.118286 153.6
[M+Na]+ 263.100228 161.5
[M-H]- 239.103734 154.3
[M+NH4]+ 258.144833 162.4
[M+K]+ 279.074168 160.7
[M+H-H2O]+ 223.108270 142.1
[M+HCOO]- 285.109211 169.5
[M+CH3COO]- 299.124861 187.9
[M+Na-2H]- 261.085676 156.8
[M]+ 240.11046142 161.5
[M]- 240.11155858 161.5
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

patents stripe