CID 177798566

2-methylidenespiro[3.4]octan-5-one

Structural Information

Molecular Formula
C9H12O
SMILES
C=C1CC2(C1)CCCC2=O
InChI
InChI=1S/C9H12O/c1-7-5-9(6-7)4-2-3-8(9)10/h1-6H2
InChIKey
RRQDQHVNJKLUNE-UHFFFAOYSA-N
Compound name
2-methylidenespiro[3.4]octan-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.08882 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.096096 123.9
[M+Na]+ 159.078038 130.7
[M-H]- 135.081544 129.9
[M+NH4]+ 154.122643 143.4
[M+K]+ 175.051978 131.2
[M+H-H2O]+ 119.086080 115.8
[M+HCOO]- 181.087021 145.3
[M+CH3COO]- 195.102671 175.3
[M+Na-2H]- 157.063486 128.9
[M]+ 136.08827142 129.0
[M]- 136.08936858 129.0
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.