CID 132398732

2307779-14-0

Structural Information

Molecular Formula
C7H10O3
SMILES
C1COC[C@H]2[C@@]1(C2)C(=O)O
InChI
InChI=1S/C7H10O3/c8-6(9)7-1-2-10-4-5(7)3-7/h5H,1-4H2,(H,8,9)/t5-,7+/m0/s1
InChIKey
BFEJYBAOLMBLCT-CAHLUQPWSA-N
Compound name
(1R,6S)-3-oxabicyclo[4.1.0]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 129.1
[M+Na]+ 165.05221 137.7
[M-H]- 141.05571 133.8
[M+NH4]+ 160.09681 146.5
[M+K]+ 181.02615 137.9
[M+H-H2O]+ 125.06025 124.5
[M+HCOO]- 187.06119 146.9
[M+CH3COO]- 201.07684 173.2
[M+Na-2H]- 163.03766 137.7
[M]+ 142.06244 130.3
[M]- 142.06354 130.3
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.