CID 44146397

3,6-dimethyl-1-oxaspiro[4.5]decan-2-one

Structural Information

Molecular Formula
C11H18O2
SMILES
CC1CCCCC12CC(C(=O)O2)C
InChI
InChI=1S/C11H18O2/c1-8-7-11(13-10(8)12)6-4-3-5-9(11)2/h8-9H,3-7H2,1-2H3
InChIKey
GMYXUTYETGXPOS-UHFFFAOYSA-N
Compound name
3,6-dimethyl-1-oxaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.13068 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 139.9
[M+Na]+ 205.119898 146.5
[M-H]- 181.123404 145.9
[M+NH4]+ 200.164503 162.9
[M+K]+ 221.093838 145.8
[M+H-H2O]+ 165.127940 135.4
[M+HCOO]- 227.128881 158.5
[M+CH3COO]- 241.144531 180.0
[M+Na-2H]- 203.105346 143.5
[M]+ 182.13013142 136.1
[M]- 182.13122858 136.1
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.