CID 207738

Brn 3983205

Structural Information

Molecular Formula
C15H16O5
SMILES
C1C[C@@H]2C(C([C@H]1O2)C(=O)O)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C15H16O5/c16-14(17)12-10-6-7-11(20-10)13(12)15(18)19-8-9-4-2-1-3-5-9/h1-5,10-13H,6-8H2,(H,16,17)/t10-,11+,12?,13?/m0/s1
InChIKey
FPOUQQHQTRACGO-ZFDZMSFRSA-N
Compound name
(1S,4R)-3-phenylmethoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.09976 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10704 161.7
[M+Na]+ 299.08898 167.3
[M-H]- 275.09248 167.0
[M+NH4]+ 294.13358 180.5
[M+K]+ 315.06292 166.2
[M+H-H2O]+ 259.09702 157.1
[M+HCOO]- 321.09796 179.5
[M+CH3COO]- 335.11361 194.7
[M+Na-2H]- 297.07443 162.3
[M]+ 276.09921 163.3
[M]- 276.10031 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.