CID 3065737

Cyclohexanol, 2-((1,1-dimethylethyl)amino)-6-phenoxy-, hydrochloride, (1-alpha,2-beta,6-beta)-

Structural Information

Molecular Formula
C16H25NO2
SMILES
CC(C)(C)N[C@H]1CCC[C@H]([C@@H]1O)OC2=CC=CC=C2
InChI
InChI=1S/C16H25NO2/c1-16(2,3)17-13-10-7-11-14(15(13)18)19-12-8-5-4-6-9-12/h4-6,8-9,13-15,17-18H,7,10-11H2,1-3H3/t13-,14+,15+/m0/s1
InChIKey
VLOZIZZPUCRIAI-RRFJBIMHSA-N
Compound name
(1R,2S,6R)-2-(tert-butylamino)-6-phenoxycyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 163.5
[M+Na]+ 286.17776 167.2
[M-H]- 262.18126 168.0
[M+NH4]+ 281.22236 179.2
[M+K]+ 302.15170 164.2
[M+H-H2O]+ 246.18580 156.6
[M+HCOO]- 308.18674 181.3
[M+CH3COO]- 322.20239 197.6
[M+Na-2H]- 284.16321 166.9
[M]+ 263.18799 159.6
[M]- 263.18909 159.6
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.