CID 14626805

Spiro[4.5]decan-8-one

Structural Information

Molecular Formula
C10H16O
SMILES
C1CCC2(C1)CCC(=O)CC2
InChI
InChI=1S/C10H16O/c11-9-3-7-10(8-4-9)5-1-2-6-10/h1-8H2
InChIKey
DSIGHSFWYLVBJF-UHFFFAOYSA-N
Compound name
spiro[4.5]decan-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

313
Patents

152.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 135.3
[M+Na]+ 175.10934 140.3
[M-H]- 151.11284 140.1
[M+NH4]+ 170.15394 160.1
[M+K]+ 191.08328 138.4
[M+H-H2O]+ 135.11738 130.1
[M+HCOO]- 197.11832 154.9
[M+CH3COO]- 211.13397 172.8
[M+Na-2H]- 173.09479 139.4
[M]+ 152.11957 128.2
[M]- 152.12067 128.2
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

patents stripe