CID 10654701

Ethyl (1s,5r)-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate

Structural Information

Molecular Formula
C8H10O4
SMILES
CCOC(=O)[C@]12C[C@H]1COC2=O
InChI
InChI=1S/C8H10O4/c1-2-11-6(9)8-3-5(8)4-12-7(8)10/h5H,2-4H2,1H3/t5-,8-/m0/s1
InChIKey
FZNZMKYHAARKOO-XNCJUZBTSA-N
Compound name
ethyl (1S,5R)-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

170.0579 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.065176 135.1
[M+Na]+ 193.047118 145.7
[M-H]- 169.050624 141.4
[M+NH4]+ 188.091723 154.0
[M+K]+ 209.021058 145.5
[M+H-H2O]+ 153.055160 131.3
[M+HCOO]- 215.056101 156.0
[M+CH3COO]- 229.071751 179.9
[M+Na-2H]- 191.032566 141.8
[M]+ 170.05735142 141.4
[M]- 170.05844858 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe