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 148.3
[M+Na]+ 251.08900 148.8
[M+NH4]+ 246.13360 153.8
[M+K]+ 267.06294 149.2
[M-H]- 227.09250 141.3
[M+Na-2H]- 249.07445 144.2
[M]+ 228.09923 145.1
[M]- 228.10033 145.1
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.