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

295
Patents

152.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 135.3
[M+Na]+ 175.109338 140.3
[M-H]- 151.112844 140.1
[M+NH4]+ 170.153943 160.1
[M+K]+ 191.083278 138.4
[M+H-H2O]+ 135.117380 130.1
[M+HCOO]- 197.118321 154.9
[M+CH3COO]- 211.133971 172.8
[M+Na-2H]- 173.094786 139.4
[M]+ 152.11957142 128.2
[M]- 152.12066858 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