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]+ 215.16417 144.8
[M+Na]+ 237.14611 148.7
[M-H]- 213.14961 149.2
[M+NH4]+ 232.19071 157.6
[M+K]+ 253.12005 151.9
[M+H-H2O]+ 197.15415 135.8
[M+HCOO]- 259.15509 159.2
[M+CH3COO]- 273.17074 187.2
[M+Na-2H]- 235.13156 150.9
[M]+ 214.15634 151.4
[M]- 214.15744 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.