CID 12666678

76354-51-3

Structural Information

Molecular Formula
C7H10O3
SMILES
C1C[C@@H]2[C@H]([C@@H]2OC1)C(=O)O
InChI
InChI=1S/C7H10O3/c8-7(9)5-4-2-1-3-10-6(4)5/h4-6H,1-3H2,(H,8,9)/t4-,5-,6-/m1/s1
InChIKey
HSQSGWOCFUFUIH-HSUXUTPPSA-N
Compound name
(1R,6R,7R)-2-oxabicyclo[4.1.0]heptane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.06299 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 127.3
[M+Na]+ 165.05221 136.2
[M-H]- 141.05571 132.1
[M+NH4]+ 160.09681 143.2
[M+K]+ 181.02615 135.3
[M+H-H2O]+ 125.06025 122.0
[M+HCOO]- 187.06119 145.5
[M+CH3COO]- 201.07684 174.7
[M+Na-2H]- 163.03766 134.4
[M]+ 142.06244 128.5
[M]- 142.06354 128.5
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.