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]+ 151.11174 118.7
[M+Na]+ 173.09368 122.9
[M-H]- 149.09718 125.9
[M+NH4]+ 168.13828 124.3
[M+K]+ 189.06762 128.0
[M+H-H2O]+ 133.10172 106.0
[M+HCOO]- 195.10266 134.0
[M+CH3COO]- 209.11831 202.7
[M+Na-2H]- 171.07913 125.6
[M]+ 150.10391 138.1
[M]- 150.10501 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.