CID 496473

Nsc690206

Structural Information

Molecular Formula
C11H14F2N2O4
SMILES
CC1=CN(C(=O)NC1=O)C2C(C(C2(F)F)CO)CO
InChI
InChI=1S/C11H14F2N2O4/c1-5-2-15(10(19)14-9(5)18)8-6(3-16)7(4-17)11(8,12)13/h2,6-8,16-17H,3-4H2,1H3,(H,14,18,19)
InChIKey
DQCRJFVXQDCWLJ-UHFFFAOYSA-N
Compound name
1-[2,2-difluoro-3,4-bis(hydroxymethyl)cyclobutyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.09216 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.09944 160.1
[M+Na]+ 299.08138 169.8
[M-H]- 275.08488 158.8
[M+NH4]+ 294.12598 167.9
[M+K]+ 315.05532 168.1
[M+H-H2O]+ 259.08942 147.3
[M+HCOO]- 321.09036 173.8
[M+CH3COO]- 335.10601 195.8
[M+Na-2H]- 297.06683 160.7
[M]+ 276.09161 166.6
[M]- 276.09271 166.6
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.