CID 137929312

2260931-86-8

Structural Information

Molecular Formula
C11H16O5
SMILES
CC(C)(C)OC(=O)C12CC(C1)(CO2)C(=O)O
InChI
InChI=1S/C11H16O5/c1-9(2,3)16-8(14)11-4-10(5-11,6-15-11)7(12)13/h4-6H2,1-3H3,(H,12,13)
InChIKey
TZAVJGVWOXQFBP-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.09978 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10706 161.0
[M+Na]+ 251.08900 165.8
[M-H]- 227.09250 161.3
[M+NH4]+ 246.13360 181.1
[M+K]+ 267.06294 168.9
[M+H-H2O]+ 211.09704 156.8
[M+HCOO]- 273.09798 173.4
[M+CH3COO]- 287.11363 189.9
[M+Na-2H]- 249.07445 168.5
[M]+ 228.09923 176.5
[M]- 228.10033 176.5
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.