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]+ 241.11829 153.6
[M+Na]+ 263.10023 161.5
[M-H]- 239.10373 154.3
[M+NH4]+ 258.14483 162.4
[M+K]+ 279.07417 160.7
[M+H-H2O]+ 223.10827 142.1
[M+HCOO]- 285.10921 169.5
[M+CH3COO]- 299.12486 187.9
[M+Na-2H]- 261.08568 156.8
[M]+ 240.11046 161.5
[M]- 240.11156 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