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

267
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 109.5
[M+Na]+ 107.046738 118.1
[M-H]- 83.050244 117.4
[M+NH4]+ 102.091343 123.4
[M+K]+ 123.020678 122.4
[M+H-H2O]+ 67.054780 100.9
[M+HCOO]- 129.055721 131.3
[M+CH3COO]- 143.071371 169.4
[M+Na-2H]- 105.032186 121.0
[M]+ 84.05697142 119.8
[M]- 84.05806858 119.8
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