CID 10877057

Spiro[2.3]hexan-4-one

Structural Information

Molecular Formula
C6H8O
SMILES
C1CC2(C1=O)CC2
InChI
InChI=1S/C6H8O/c7-5-1-2-6(5)3-4-6/h1-4H2
InChIKey
OIRNAOWGCPSZCJ-UHFFFAOYSA-N
Compound name
spiro[2.3]hexan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

96.05752 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.064796 118.6
[M+Na]+ 119.04674 127.4
[M+NH4]+ 114.09134 126.4
[M+K]+ 135.02068 123.2
[M-H]- 95.050244 125.1
[M+Na-2H]- 117.03219 126.4
[M]+ 96.056971 121.8
[M]- 96.058069 121.8
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