CID 155821025

2490400-66-1

Structural Information

Molecular Formula
C10H14O5
SMILES
CC(C)(C)OC(=O)C1CC(=O)OC(=O)C1
InChI
InChI=1S/C10H14O5/c1-10(2,3)15-9(13)6-4-7(11)14-8(12)5-6/h6H,4-5H2,1-3H3
InChIKey
JGLQOSLKSMDPOF-UHFFFAOYSA-N
Compound name
tert-butyl 2,6-dioxooxane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.08412 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.09140 142.1
[M+Na]+ 237.07334 149.0
[M-H]- 213.07684 146.3
[M+NH4]+ 232.11794 159.7
[M+K]+ 253.04728 150.3
[M+H-H2O]+ 197.08138 137.3
[M+HCOO]- 259.08232 160.4
[M+CH3COO]- 273.09797 185.5
[M+Na-2H]- 235.05879 146.8
[M]+ 214.08357 143.6
[M]- 214.08467 143.6
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.