CID 10487113

Ethyl 2-oxabicyclo[3.1.0]hexane-6-carboxylate

Structural Information

Molecular Formula
C8H12O3
SMILES
CCOC(=O)C1C2C1OCC2
InChI
InChI=1S/C8H12O3/c1-2-10-8(9)6-5-3-4-11-7(5)6/h5-7H,2-4H2,1H3
InChIKey
WPWZXGZTADPNQW-UHFFFAOYSA-N
Compound name
ethyl 2-oxabicyclo[3.1.0]hexane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

156.07864 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.085916 132.5
[M+Na]+ 179.067858 142.3
[M-H]- 155.071364 138.6
[M+NH4]+ 174.112463 150.3
[M+K]+ 195.041798 141.6
[M+H-H2O]+ 139.075900 127.5
[M+HCOO]- 201.076841 153.6
[M+CH3COO]- 215.092491 179.2
[M+Na-2H]- 177.053306 138.1
[M]+ 156.07809142 137.6
[M]- 156.07918858 137.6
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