CID 242082

6-oxabicyclo[3.1.0]hexan-2-one

Structural Information

Molecular Formula
C5H6O2
SMILES
C1CC(=O)C2C1O2
InChI
InChI=1S/C5H6O2/c6-3-1-2-4-5(3)7-4/h4-5H,1-2H2
InChIKey
FDSYWIWRUBJSDE-UHFFFAOYSA-N
Compound name
6-oxabicyclo[3.1.0]hexan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

98.03678 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.044056 115.6
[M+Na]+ 121.02600 126.9
[M-H]- 97.029504 122.2
[M+NH4]+ 116.07060 135.7
[M+K]+ 136.99994 126.3
[M+H-H2O]+ 81.034040 111.1
[M+HCOO]- 143.03498 138.5
[M+CH3COO]- 157.05063 168.4
[M+Na-2H]- 119.01145 124.0
[M]+ 98.036231 118.9
[M]- 98.037329 118.9
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