CID 155971150

(2r)-2-(tert-butoxy)-3-phenylpropan-1-ol

Structural Information

Molecular Formula
C13H20O2
SMILES
CC(C)(C)O[C@H](CC1=CC=CC=C1)CO
InChI
InChI=1S/C13H20O2/c1-13(2,3)15-12(10-14)9-11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3/t12-/m1/s1
InChIKey
PSBWVYQNBWAXEW-GFCCVEGCSA-N
Compound name
(2R)-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.14633 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.15361 149.4
[M+Na]+ 231.13555 160.5
[M+NH4]+ 226.18015 157.2
[M+K]+ 247.10949 154.9
[M-H]- 207.13905 150.4
[M+Na-2H]- 229.12100 155.3
[M]+ 208.14578 151.3
[M]- 208.14688 151.3
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

No patent data available for this compound.