CID 172653597

5-oxaspiro[2.5]octan-7-one

Structural Information

Molecular Formula
C7H10O2
SMILES
C1CC12CC(=O)COC2
InChI
InChI=1S/C7H10O2/c8-6-3-7(1-2-7)5-9-4-6/h1-5H2
InChIKey
JJGIPGOUJRWUGW-UHFFFAOYSA-N
Compound name
5-oxaspiro[2.5]octan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.06808 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 126.1
[M+Na]+ 149.05730 135.0
[M-H]- 125.06080 133.5
[M+NH4]+ 144.10190 144.2
[M+K]+ 165.03124 135.7
[M+H-H2O]+ 109.06534 120.9
[M+HCOO]- 171.06628 146.5
[M+CH3COO]- 185.08193 171.8
[M+Na-2H]- 147.04275 135.2
[M]+ 126.06753 126.2
[M]- 126.06863 126.2
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.