CID 44150537

9-methyl-1-oxaspiro[5.5]undecan-2-one

Structural Information

Molecular Formula
C11H18O2
SMILES
CC1CCC2(CCCC(=O)O2)CC1
InChI
InChI=1S/C11H18O2/c1-9-4-7-11(8-5-9)6-2-3-10(12)13-11/h9H,2-8H2,1H3
InChIKey
FSZHMRPSWDFECE-UHFFFAOYSA-N
Compound name
9-methyl-1-oxaspiro[5.5]undecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.13068 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 140.3
[M+Na]+ 205.119898 145.0
[M-H]- 181.123404 145.7
[M+NH4]+ 200.164503 161.0
[M+K]+ 221.093838 144.6
[M+H-H2O]+ 165.127940 134.6
[M+HCOO]- 227.128881 156.7
[M+CH3COO]- 241.144531 179.3
[M+Na-2H]- 203.105346 145.9
[M]+ 182.13013142 134.0
[M]- 182.13122858 134.0
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.