CID 207351

Brn 3963682

Structural Information

Molecular Formula
C11H16O5
SMILES
CC(C)OC(=O)C1C2CCC(C1C(=O)O)O2
InChI
InChI=1S/C11H16O5/c1-5(2)15-11(14)9-7-4-3-6(16-7)8(9)10(12)13/h5-9H,3-4H2,1-2H3,(H,12,13)
InChIKey
QWQBZOTXZNXLIH-UHFFFAOYSA-N
Compound name
3-propan-2-yloxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.09978 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10706 149.8
[M+Na]+ 251.08900 155.5
[M+NH4]+ 246.13360 155.9
[M+K]+ 267.06294 157.5
[M-H]- 227.09250 148.1
[M+Na-2H]- 249.07445 146.9
[M]+ 228.09923 149.5
[M]- 228.10033 149.5
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.