CID 132327506

Rac-(1s,3r)-3-(tert-butoxy)-7-oxaspiro[3.5]nonan-1-ol

Structural Information

Molecular Formula
C12H22O3
SMILES
CC(C)(C)O[C@@H]1C[C@@H](C12CCOCC2)O
InChI
InChI=1S/C12H22O3/c1-11(2,3)15-10-8-9(13)12(10)4-6-14-7-5-12/h9-10,13H,4-8H2,1-3H3/t9-,10+/m0/s1
InChIKey
DVOCVNMUOZTHIO-VHSXEESVSA-N
Compound name
(1S,3R)-3-[(2-methylpropan-2-yl)oxy]-7-oxaspiro[3.5]nonan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.15689 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.164166 144.8
[M+Na]+ 237.146108 148.7
[M-H]- 213.149614 149.2
[M+NH4]+ 232.190713 157.6
[M+K]+ 253.120048 151.9
[M+H-H2O]+ 197.154150 135.8
[M+HCOO]- 259.155091 159.2
[M+CH3COO]- 273.170741 187.2
[M+Na-2H]- 235.131556 150.9
[M]+ 214.15634142 151.4
[M]- 214.15743858 151.4
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

No patent data available for this compound.