CID 12563871

Cis-2-oxabicyclo[4.2.0]octan-7-one

Structural Information

Molecular Formula
C7H10O2
SMILES
C1C[C@@H]2[C@@H](CC2=O)OC1
InChI
InChI=1S/C7H10O2/c8-6-4-7-5(6)2-1-3-9-7/h5,7H,1-4H2/t5-,7+/m0/s1
InChIKey
CKAFSLVZGWLORL-CAHLUQPWSA-N
Compound name
(1R,6R)-2-oxabicyclo[4.2.0]octan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.06808 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 114.9
[M+Na]+ 149.057298 120.9
[M-H]- 125.060804 119.8
[M+NH4]+ 144.101903 130.5
[M+K]+ 165.031238 124.5
[M+H-H2O]+ 109.065340 105.6
[M+HCOO]- 171.066281 133.9
[M+CH3COO]- 185.081931 174.0
[M+Na-2H]- 147.042746 123.5
[M]+ 126.06753142 121.7
[M]- 126.06862858 121.7
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

No patent data available for this compound.