CID 165992235

6-methoxyspiro[3.3]heptan-1-one

Structural Information

Molecular Formula
C8H12O2
SMILES
COC1CC2(C1)CCC2=O
InChI
InChI=1S/C8H12O2/c1-10-6-4-8(5-6)3-2-7(8)9/h6H,2-5H2,1H3
InChIKey
CTUDKYVVBFDAHU-UHFFFAOYSA-N
Compound name
2-methoxyspiro[3.3]heptan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 132.5
[M+Na]+ 163.07294 134.2
[M+NH4]+ 158.11754 134.6
[M+K]+ 179.04688 131.3
[M-H]- 139.07644 129.2
[M+Na-2H]- 161.05839 133.7
[M]+ 140.08317 129.6
[M]- 140.08427 129.6
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.