CID 44147747

94278-43-0

Structural Information

Molecular Formula
C14H24O2
SMILES
CC1CC2(CCC(CC2)C(C)(C)C)OC1=O
InChI
InChI=1S/C14H24O2/c1-10-9-14(16-12(10)15)7-5-11(6-8-14)13(2,3)4/h10-11H,5-9H2,1-4H3
InChIKey
RUDWYGPMFXMYJL-UHFFFAOYSA-N
Compound name
8-tert-butyl-3-methyl-1-oxaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.17763 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.184906 152.7
[M+Na]+ 247.166848 158.5
[M-H]- 223.170354 158.5
[M+NH4]+ 242.211453 174.2
[M+K]+ 263.140788 157.6
[M+H-H2O]+ 207.174890 148.6
[M+HCOO]- 269.175831 168.8
[M+CH3COO]- 283.191481 188.8
[M+Na-2H]- 245.152296 155.9
[M]+ 224.17708142 149.5
[M]- 224.17817858 149.5
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.