CID 494910

Nsc636186

Structural Information

Molecular Formula
C13H20N2O4
SMILES
CC1=CN(C(=O)NC1=O)C2C(C(C2(C)C)CO)CO
InChI
InChI=1S/C13H20N2O4/c1-7-4-15(12(19)14-11(7)18)10-8(5-16)9(6-17)13(10,2)3/h4,8-10,16-17H,5-6H2,1-3H3,(H,14,18,19)
InChIKey
NUEYMQDHZULBJR-UHFFFAOYSA-N
Compound name
1-[3,4-bis(hydroxymethyl)-2,2-dimethylcyclobutyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1423 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.149576 162.8
[M+Na]+ 291.131518 171.5
[M-H]- 267.135024 163.8
[M+NH4]+ 286.176123 171.1
[M+K]+ 307.105458 170.3
[M+H-H2O]+ 251.139560 151.6
[M+HCOO]- 313.140501 177.9
[M+CH3COO]- 327.156151 196.4
[M+Na-2H]- 289.116966 163.5
[M]+ 268.14175142 172.1
[M]- 268.14284858 172.1
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.