CID 810913

56309-94-5

Structural Information

Molecular Formula
C14H22O3
SMILES
C1CC(=O)CCC1C2CCC3(CC2)OCCO3
InChI
InChI=1S/C14H22O3/c15-13-3-1-11(2-4-13)12-5-7-14(8-6-12)16-9-10-17-14/h11-12H,1-10H2
InChIKey
ZNWLFTSPNBLXGL-UHFFFAOYSA-N
Compound name
4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

371
Patents

238.15689 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.16417 157.5
[M+Na]+ 261.14611 166.9
[M+NH4]+ 256.19071 167.9
[M+K]+ 277.12005 161.1
[M-H]- 237.14961 164.3
[M+Na-2H]- 259.13156 162.3
[M]+ 238.15634 160.8
[M]- 238.15744 160.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe