CID 3010948

Ditert-butyl 3-hydroxy-4-oxo-pyran-2,6-dicarboxylate

Structural Information

Molecular Formula
C15H20O7
SMILES
CC(C)(C)OC(=O)C1=CC(=O)C(=C(O1)C(=O)OC(C)(C)C)O
InChI
InChI=1S/C15H20O7/c1-14(2,3)21-12(18)9-7-8(16)10(17)11(20-9)13(19)22-15(4,5)6/h7,17H,1-6H3
InChIKey
GWBNKOLQSWJPTB-UHFFFAOYSA-N
Compound name
ditert-butyl 3-hydroxy-4-oxopyran-2,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.1209 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12818 164.5
[M+Na]+ 335.11012 172.6
[M-H]- 311.11362 168.4
[M+NH4]+ 330.15472 178.0
[M+K]+ 351.08406 174.0
[M+H-H2O]+ 295.11816 159.4
[M+HCOO]- 357.11910 181.8
[M+CH3COO]- 371.13475 202.9
[M+Na-2H]- 333.09557 168.8
[M]+ 312.12035 172.2
[M]- 312.12145 172.2
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.