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]+ 232.16959 155.0
[M+Na]+ 254.15153 167.0
[M+NH4]+ 249.19613 166.1
[M+K]+ 270.12547 159.4
[M-H]- 230.15503 158.0
[M+Na-2H]- 252.13698 160.6
[M]+ 231.16176 157.7
[M]- 231.16286 157.7
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.