CID 504292

1-[(2s)-8,8-dimethyl-3,7,9-trioxaspiro[4.4]nonan-2-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C12H16N2O5
SMILES
CC1(OCC2(O1)C[C@H](OC2)N3C=CC(=O)NC3=O)C
InChI
InChI=1S/C12H16N2O5/c1-11(2)18-7-12(19-11)5-9(17-6-12)14-4-3-8(15)13-10(14)16/h3-4,9H,5-7H2,1-2H3,(H,13,15,16)/t9-,12?/m0/s1
InChIKey
IFLFCYKPRVRYCO-QHGLUPRGSA-N
Compound name
1-[(8S)-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-8-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.10593 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11321 153.0
[M+Na]+ 291.09515 162.9
[M-H]- 267.09865 160.7
[M+NH4]+ 286.13975 169.9
[M+K]+ 307.06909 163.5
[M+H-H2O]+ 251.10319 147.9
[M+HCOO]- 313.10413 169.6
[M+CH3COO]- 327.11978 166.0
[M+Na-2H]- 289.08060 157.8
[M]+ 268.10538 154.4
[M]- 268.10648 154.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.