CID 96732483

(1r,5r)-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid

Structural Information

Molecular Formula
C6H8O3
SMILES
C1[C@@H]2[C@]1(COC2)C(=O)O
InChI
InChI=1S/C6H8O3/c7-5(8)6-1-4(6)2-9-3-6/h4H,1-3H2,(H,7,8)/t4-,6-/m0/s1
InChIKey
KXQPXWJVQITPAZ-NJGYIYPDSA-N
Compound name
(1R,5R)-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.04735 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.054626 123.9
[M+Na]+ 151.036568 133.8
[M-H]- 127.040074 128.9
[M+NH4]+ 146.081173 143.6
[M+K]+ 167.010508 133.5
[M+H-H2O]+ 111.044610 120.2
[M+HCOO]- 173.045551 143.8
[M+CH3COO]- 187.061201 170.0
[M+Na-2H]- 149.022016 131.8
[M]+ 128.04680142 126.7
[M]- 128.04789858 126.7
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

patents stripe