CID 155819742

2-{2-oxabicyclo[2.1.1]hexan-4-yl}acetic acid

Structural Information

Molecular Formula
C7H10O3
SMILES
C1C2CC1(CO2)CC(=O)O
InChI
InChI=1S/C7H10O3/c8-6(9)3-7-1-5(2-7)10-4-7/h5H,1-4H2,(H,8,9)
InChIKey
IAQDDZOEHJGCOK-UHFFFAOYSA-N
Compound name
2-(2-oxabicyclo[2.1.1]hexan-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.06299 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 132.0
[M+Na]+ 165.05221 137.8
[M-H]- 141.05571 132.7
[M+NH4]+ 160.09681 153.9
[M+K]+ 181.02615 140.5
[M+H-H2O]+ 125.06025 126.5
[M+HCOO]- 187.06119 148.3
[M+CH3COO]- 201.07684 175.6
[M+Na-2H]- 163.03766 140.4
[M]+ 142.06244 145.1
[M]- 142.06354 145.1
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.