CID 93838

2,6,10,10-tetramethyl-1-oxaspiro(4.5)decan-6-ol acetate

Structural Information

Molecular Formula
C15H26O3
SMILES
CC1CCC2(O1)C(CCCC2(C)OC(=O)C)(C)C
InChI
InChI=1S/C15H26O3/c1-11-7-10-15(17-11)13(3,4)8-6-9-14(15,5)18-12(2)16/h11H,6-10H2,1-5H3
InChIKey
LTAWGWRPOGXHBD-UHFFFAOYSA-N
Compound name
(2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl) acetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

168
Patents

254.1882 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.195476 156.9
[M+Na]+ 277.177418 163.5
[M-H]- 253.180924 162.9
[M+NH4]+ 272.222023 180.9
[M+K]+ 293.151358 163.4
[M+H-H2O]+ 237.185460 153.5
[M+HCOO]- 299.186401 173.3
[M+CH3COO]- 313.202051 194.0
[M+Na-2H]- 275.162866 160.2
[M]+ 254.18765142 156.3
[M]- 254.18874858 156.3
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

patents stripe