CID 96995808

2243510-63-4

Structural Information

Molecular Formula
C8H12O3
SMILES
C[C@@]1(C[C@H]2CC[C@@H]1O2)C(=O)O
InChI
InChI=1S/C8H12O3/c1-8(7(9)10)4-5-2-3-6(8)11-5/h5-6H,2-4H2,1H3,(H,9,10)/t5-,6+,8+/m1/s1
InChIKey
MGBWQWATKAXZEU-CHKWXVPMSA-N
Compound name
(1S,2S,4R)-2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07864 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 132.1
[M+Na]+ 179.06786 139.8
[M+NH4]+ 174.11246 141.9
[M+K]+ 195.04180 137.9
[M-H]- 155.07136 132.1
[M+Na-2H]- 177.05331 133.4
[M]+ 156.07809 133.0
[M]- 156.07919 133.0
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.