CID 529197

1-oxaspiro[2.3]hexane

Structural Information

Molecular Formula
C5H8O
SMILES
C1CC2(C1)CO2
InChI
InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2
InChIKey
APUDJEBZDAGSQY-UHFFFAOYSA-N
Compound name
1-oxaspiro[2.3]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

320
Patents

84.05752 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.064796 114.2
[M+Na]+ 107.04674 123.1
[M+NH4]+ 102.09134 122.3
[M+K]+ 123.02068 119.4
[M-H]- 83.050244 122.1
[M+Na-2H]- 105.03219 122.3
[M]+ 84.056971 117.9
[M]- 84.058069 117.9
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