CID 165945959

6,6-dimethylspiro[3.3]heptan-1-one

Structural Information

Molecular Formula
C9H14O
SMILES
CC1(CC2(C1)CCC2=O)C
InChI
InChI=1S/C9H14O/c1-8(2)5-9(6-8)4-3-7(9)10/h3-6H2,1-2H3
InChIKey
WTRXAZLVRTUCHS-UHFFFAOYSA-N
Compound name
2,2-dimethylspiro[3.3]heptan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.10446 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.111736 122.8
[M+Na]+ 161.093678 129.1
[M-H]- 137.097184 129.2
[M+NH4]+ 156.138283 135.4
[M+K]+ 177.067618 133.0
[M+H-H2O]+ 121.101720 112.5
[M+HCOO]- 183.102661 141.7
[M+CH3COO]- 197.118311 187.6
[M+Na-2H]- 159.079126 129.9
[M]+ 138.10391142 138.4
[M]- 138.10500858 138.4
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.