CID 175596

8-methyl-1-oxaspiro[4.5]decan-2-one

Structural Information

Molecular Formula
C10H16O2
SMILES
CC1CCC2(CC1)CCC(=O)O2
InChI
InChI=1S/C10H16O2/c1-8-2-5-10(6-3-8)7-4-9(11)12-10/h8H,2-7H2,1H3
InChIKey
COWIMPXRUUJKQF-UHFFFAOYSA-N
Compound name
8-methyl-1-oxaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

331
Patents

168.11504 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 136.2
[M+Na]+ 191.10426 142.3
[M-H]- 167.10776 142.0
[M+NH4]+ 186.14886 159.4
[M+K]+ 207.07820 141.8
[M+H-H2O]+ 151.11230 131.5
[M+HCOO]- 213.11324 155.2
[M+CH3COO]- 227.12889 175.9
[M+Na-2H]- 189.08971 141.0
[M]+ 168.11449 131.7
[M]- 168.11559 131.7
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