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

357
Patents

168.11504 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 136.2
[M+Na]+ 191.104258 142.3
[M-H]- 167.107764 142.0
[M+NH4]+ 186.148863 159.4
[M+K]+ 207.078198 141.8
[M+H-H2O]+ 151.112300 131.5
[M+HCOO]- 213.113241 155.2
[M+CH3COO]- 227.128891 175.9
[M+Na-2H]- 189.089706 141.0
[M]+ 168.11449142 131.7
[M]- 168.11558858 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