CID 44152671

3,6-dimethyl-1-oxaspiro[4.5]decane

Structural Information

Molecular Formula
C11H20O
SMILES
CC1CCCCC12CC(CO2)C
InChI
InChI=1S/C11H20O/c1-9-7-11(12-8-9)6-4-3-5-10(11)2/h9-10H,3-8H2,1-2H3
InChIKey
RVMIUSPWOCZIGQ-UHFFFAOYSA-N
Compound name
3,6-dimethyl-1-oxaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.15141 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.158686 139.0
[M+Na]+ 191.140628 144.3
[M-H]- 167.144134 144.5
[M+NH4]+ 186.185233 162.3
[M+K]+ 207.114568 143.7
[M+H-H2O]+ 151.148670 134.1
[M+HCOO]- 213.149611 157.1
[M+CH3COO]- 227.165261 177.7
[M+Na-2H]- 189.126076 143.0
[M]+ 168.15086142 133.9
[M]- 168.15195858 133.9
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.