CID 132261125

1-methyl-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid

Structural Information

Molecular Formula
C7H10O3
SMILES
CC12CC(C1)(CO2)C(=O)O
InChI
InChI=1S/C7H10O3/c1-6-2-7(3-6,4-10-6)5(8)9/h2-4H2,1H3,(H,8,9)
InChIKey
GQRHKAYBOYJXEJ-UHFFFAOYSA-N
Compound name
1-methyl-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

142.06299 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 134.2
[M+Na]+ 165.05221 141.1
[M-H]- 141.05571 135.3
[M+NH4]+ 160.09681 157.9
[M+K]+ 181.02615 143.2
[M+H-H2O]+ 125.06025 129.5
[M+HCOO]- 187.06119 150.3
[M+CH3COO]- 201.07684 175.4
[M+Na-2H]- 163.03766 143.4
[M]+ 142.06244 147.6
[M]- 142.06354 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe