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]+ 127.07536 114.9
[M+Na]+ 149.05730 120.9
[M-H]- 125.06080 119.8
[M+NH4]+ 144.10190 130.5
[M+K]+ 165.03124 124.5
[M+H-H2O]+ 109.06534 105.6
[M+HCOO]- 171.06628 133.9
[M+CH3COO]- 185.08193 174.0
[M+Na-2H]- 147.04275 123.5
[M]+ 126.06753 121.7
[M]- 126.06863 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.