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]+ 209.153606 149.9
[M+Na]+ 231.135548 155.4
[M-H]- 207.139054 151.8
[M+NH4]+ 226.180153 168.3
[M+K]+ 247.109488 153.6
[M+H-H2O]+ 191.143590 144.3
[M+HCOO]- 253.144531 169.6
[M+CH3COO]- 267.160181 185.3
[M+Na-2H]- 229.120996 154.9
[M]+ 208.14578142 151.1
[M]- 208.14687858 151.1
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.