CID 494904

Nsc636179

Structural Information

Molecular Formula
C14H20N2O5
SMILES
CC1=CN(C(=O)NC1=O)C2C(C(C2(C)C)C(=O)OC)CO
InChI
InChI=1S/C14H20N2O5/c1-7-5-16(13(20)15-11(7)18)10-8(6-17)9(12(19)21-4)14(10,2)3/h5,8-10,17H,6H2,1-4H3,(H,15,18,20)
InChIKey
BCJRUHSPMGNPCO-UHFFFAOYSA-N
Compound name
methyl 4-(hydroxymethyl)-2,2-dimethyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1372 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14448 167.4
[M+Na]+ 319.12642 175.7
[M-H]- 295.12992 169.6
[M+NH4]+ 314.17102 174.9
[M+K]+ 335.10036 175.9
[M+H-H2O]+ 279.13446 155.7
[M+HCOO]- 341.13540 182.9
[M+CH3COO]- 355.15105 203.2
[M+Na-2H]- 317.11187 167.1
[M]+ 296.13665 178.8
[M]- 296.13775 178.8
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.