CID 146082101

2408975-26-6

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]+ 143.07027 123.3
[M+Na]+ 165.05221 126.4
[M+NH4]+ 160.09681 129.8
[M+K]+ 181.02615 126.8
[M-H]- 141.05571 118.6
[M+Na-2H]- 163.03766 119.7
[M]+ 142.06244 121.1
[M]- 142.06354 121.1
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.