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]+ 269.14958 162.8
[M+Na]+ 291.13152 171.5
[M-H]- 267.13502 163.8
[M+NH4]+ 286.17612 171.1
[M+K]+ 307.10546 170.3
[M+H-H2O]+ 251.13956 151.6
[M+HCOO]- 313.14050 177.9
[M+CH3COO]- 327.15615 196.4
[M+Na-2H]- 289.11697 163.5
[M]+ 268.14175 172.1
[M]- 268.14285 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.