CID 169546186

5-methyl-3-oxabicyclo[3.1.1]heptane-1-carboxylic acid

Structural Information

Molecular Formula
C8H12O3
SMILES
CC12CC(C1)(COC2)C(=O)O
InChI
InChI=1S/C8H12O3/c1-7-2-8(3-7,6(9)10)5-11-4-7/h2-5H2,1H3,(H,9,10)
InChIKey
OGFOVAIEBOEACS-UHFFFAOYSA-N
Compound name
5-methyl-3-oxabicyclo[3.1.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07864 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 132.0
[M+Na]+ 179.06786 136.7
[M+NH4]+ 174.11246 140.3
[M+K]+ 195.04180 130.6
[M-H]- 155.07136 128.0
[M+Na-2H]- 177.05331 130.4
[M]+ 156.07809 130.5
[M]- 156.07919 130.5
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.