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 151.8
[M+Na]+ 251.08900 157.6
[M-H]- 227.09250 153.8
[M+NH4]+ 246.13360 172.8
[M+K]+ 267.06294 158.1
[M+H-H2O]+ 211.09704 148.6
[M+HCOO]- 273.09798 168.2
[M+CH3COO]- 287.11363 188.0
[M+Na-2H]- 249.07445 151.3
[M]+ 228.09923 153.6
[M]- 228.10033 153.6
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.