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]+ 229.107056 161.0
[M+Na]+ 251.088998 165.8
[M-H]- 227.092504 161.3
[M+NH4]+ 246.133603 181.1
[M+K]+ 267.062938 168.9
[M+H-H2O]+ 211.097040 156.8
[M+HCOO]- 273.097981 173.4
[M+CH3COO]- 287.113631 189.9
[M+Na-2H]- 249.074446 168.5
[M]+ 228.09923142 176.5
[M]- 228.10032858 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.