CID 96634927

Rac-2-[(1r,2r,4s)-7-oxabicyclo[2.2.1]heptan-2-yl]acetic acid

Structural Information

Molecular Formula
C8H12O3
SMILES
C1C[C@H]2[C@@H](C[C@@H]1O2)CC(=O)O
InChI
InChI=1S/C8H12O3/c9-8(10)4-5-3-6-1-2-7(5)11-6/h5-7H,1-4H2,(H,9,10)/t5-,6+,7-/m0/s1
InChIKey
BZDCRCJAJGIUJJ-XVMARJQXSA-N
Compound name
2-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]acetic 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 131.9
[M+Na]+ 179.06786 139.5
[M+NH4]+ 174.11246 140.2
[M+K]+ 195.04180 139.4
[M-H]- 155.07136 132.0
[M+Na-2H]- 177.05331 131.7
[M]+ 156.07809 132.6
[M]- 156.07919 132.6
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.