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
5
Annotation Hits

0
References

176
Patents

254.1882 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.19548 156.9
[M+Na]+ 277.17742 163.5
[M-H]- 253.18092 162.9
[M+NH4]+ 272.22202 180.9
[M+K]+ 293.15136 163.4
[M+H-H2O]+ 237.18546 153.5
[M+HCOO]- 299.18640 173.3
[M+CH3COO]- 313.20205 194.0
[M+Na-2H]- 275.16287 160.2
[M]+ 254.18765 156.3
[M]- 254.18875 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