CID 13495729

Dispiro[3.0.3^{5}.2^{4}]decan-9-one

Structural Information

Molecular Formula
C10H14O
SMILES
C1CC2(C1)CC(=O)C23CCC3
InChI
InChI=1S/C10H14O/c11-8-7-9(3-1-4-9)10(8)5-2-6-10/h1-7H2
InChIKey
XWCLNTXDJKIEGH-UHFFFAOYSA-N
Compound name
dispiro[3.0.35.24]decan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.10446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.111736 118.7
[M+Na]+ 173.093678 122.9
[M-H]- 149.097184 125.9
[M+NH4]+ 168.138283 124.3
[M+K]+ 189.067618 128.0
[M+H-H2O]+ 133.101720 106.0
[M+HCOO]- 195.102661 134.0
[M+CH3COO]- 209.118311 202.7
[M+Na-2H]- 171.079126 125.6
[M]+ 150.10391142 138.1
[M]- 150.10500858 138.1
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.