CID 93838

6-acetoxydihydrotheaspirane

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
4
Annotation Hits

0
References

169
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 159.0
[M+Na]+ 277.17742 167.7
[M+NH4]+ 272.22202 171.0
[M+K]+ 293.15136 159.2
[M-H]- 253.18092 161.9
[M+Na-2H]- 275.16287 165.4
[M]+ 254.18765 161.4
[M]- 254.18875 161.4
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