CID 3045504

Phenol, 3-(6,7-dimethyl-6-azabicyclo(3.2.1)oct-1-yl)-, hydrobromide, (1r-endo)-

Structural Information

Molecular Formula
C15H21NO
SMILES
CC1[C@@]2(CCCC(C2)N1C)C3=CC(=CC=C3)O
InChI
InChI=1S/C15H21NO/c1-11-15(12-5-3-7-14(17)9-12)8-4-6-13(10-15)16(11)2/h3,5,7,9,11,13,17H,4,6,8,10H2,1-2H3/t11?,13?,15-/m0/s1
InChIKey
JKOWKYCFCWDUJV-HGMXIMQMSA-N
Compound name
3-[(1R)-6,7-dimethyl-6-azabicyclo[3.2.1]octan-1-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

231.16231 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.169586 155.2
[M+Na]+ 254.151528 162.4
[M-H]- 230.155034 158.5
[M+NH4]+ 249.196133 176.9
[M+K]+ 270.125468 157.9
[M+H-H2O]+ 214.159570 148.7
[M+HCOO]- 276.160511 171.3
[M+CH3COO]- 290.176161 166.7
[M+Na-2H]- 252.136976 158.4
[M]+ 231.16176142 151.9
[M]- 231.16285858 151.9
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.