CID 96732483

1516949-48-6

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

5
Patents

128.04735 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05463 123.9
[M+Na]+ 151.03657 133.8
[M-H]- 127.04007 128.9
[M+NH4]+ 146.08117 143.6
[M+K]+ 167.01051 133.5
[M+H-H2O]+ 111.04461 120.2
[M+HCOO]- 173.04555 143.8
[M+CH3COO]- 187.06120 170.0
[M+Na-2H]- 149.02202 131.8
[M]+ 128.04680 126.7
[M]- 128.04790 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