CID 132371572

2307784-70-7

Structural Information

Molecular Formula
C8H12O3
SMILES
C1C[C@H]([C@@H]2C[C@H]1OC2)C(=O)O
InChI
InChI=1S/C8H12O3/c9-8(10)7-2-1-6-3-5(7)4-11-6/h5-7H,1-4H2,(H,9,10)/t5-,6+,7-/m1/s1
InChIKey
POZHNRPZWVLIML-DSYKOEDSSA-N
Compound name
(1S,2R,5S)-6-oxabicyclo[3.2.1]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07864 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 131.1
[M+Na]+ 179.06786 139.9
[M+NH4]+ 174.11246 139.8
[M+K]+ 195.04180 137.6
[M-H]- 155.07136 132.0
[M+Na-2H]- 177.05331 131.9
[M]+ 156.07809 132.3
[M]- 156.07919 132.3
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.