CID 167728244

Dispiro[2.2.3^{6}.2^{3}]undecan-8-one

Structural Information

Molecular Formula
C11H16O
SMILES
C1CC12CCC3(CC2)CC(=O)C3
InChI
InChI=1S/C11H16O/c12-9-7-11(8-9)5-3-10(1-2-10)4-6-11/h1-8H2
InChIKey
KGLCXHAWUJCIGQ-UHFFFAOYSA-N
Compound name
dispiro[2.2.36.23]undecan-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.12012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 135.8
[M+Na]+ 187.10934 143.1
[M-H]- 163.11284 144.2
[M+NH4]+ 182.15394 149.8
[M+K]+ 203.08328 144.7
[M+H-H2O]+ 147.11738 127.2
[M+HCOO]- 209.11832 153.8
[M+CH3COO]- 223.13397 183.3
[M+Na-2H]- 185.09479 143.0
[M]+ 164.11957 141.9
[M]- 164.12067 141.9
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.