CID 138987521

2305251-68-5

Structural Information

Molecular Formula
C8H12O3
SMILES
CC12CCC(C1)(OC2)C(=O)O
InChI
InChI=1S/C8H12O3/c1-7-2-3-8(4-7,6(9)10)11-5-7/h2-5H2,1H3,(H,9,10)
InChIKey
HAELKJPSEPKXNB-UHFFFAOYSA-N
Compound name
4-methyl-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07864 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 132.6
[M+Na]+ 179.06786 140.5
[M-H]- 155.07136 134.9
[M+NH4]+ 174.11246 160.3
[M+K]+ 195.04180 140.1
[M+H-H2O]+ 139.07590 130.4
[M+HCOO]- 201.07684 151.5
[M+CH3COO]- 215.09249 171.3
[M+Na-2H]- 177.05331 139.4
[M]+ 156.07809 132.4
[M]- 156.07919 132.4
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.