CID 44153769

94200-94-9

Structural Information

Molecular Formula
C15H28O
SMILES
CCC(C)(C)C1CCC2(CC1)CC(CO2)C
InChI
InChI=1S/C15H28O/c1-5-14(3,4)13-6-8-15(9-7-13)10-12(2)11-16-15/h12-13H,5-11H2,1-4H3
InChIKey
WJEJFRYVWSCUOJ-UHFFFAOYSA-N
Compound name
3-methyl-8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.21402 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.22130 156.3
[M+Na]+ 247.20324 160.4
[M-H]- 223.20674 161.4
[M+NH4]+ 242.24784 177.5
[M+K]+ 263.17718 159.3
[M+H-H2O]+ 207.21128 151.5
[M+HCOO]- 269.21222 171.6
[M+CH3COO]- 283.22787 190.2
[M+Na-2H]- 245.18869 159.2
[M]+ 224.21347 152.3
[M]- 224.21457 152.3
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.