CID 146082101

3-methyl-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid

Structural Information

Molecular Formula
C7H10O3
SMILES
CC1C2CC(C2)(O1)C(=O)O
InChI
InChI=1S/C7H10O3/c1-4-5-2-7(3-5,10-4)6(8)9/h4-5H,2-3H2,1H3,(H,8,9)
InChIKey
GMNMEPWTUITKND-UHFFFAOYSA-N
Compound name
3-methyl-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.06299 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.070266 132.2
[M+Na]+ 165.052208 138.8
[M-H]- 141.055714 133.2
[M+NH4]+ 160.096813 154.3
[M+K]+ 181.026148 141.5
[M+H-H2O]+ 125.060250 127.0
[M+HCOO]- 187.061191 148.4
[M+CH3COO]- 201.076841 176.7
[M+Na-2H]- 163.037656 140.0
[M]+ 142.06244142 145.6
[M]- 142.06353858 145.6
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.