CID 3045754

(+-)-3-(6-hexyl-6-azabicyclo(3.2.1)oct-1-yl)phenol hydrochloride

Structural Information

Molecular Formula
C19H29NO
SMILES
CCCCCCN1CC2(CCCC1C2)C3=CC(=CC=C3)O
InChI
InChI=1S/C19H29NO/c1-2-3-4-5-12-20-15-19(11-7-9-17(20)14-19)16-8-6-10-18(21)13-16/h6,8,10,13,17,21H,2-5,7,9,11-12,14-15H2,1H3
InChIKey
CNXOYPOZJVKQMM-UHFFFAOYSA-N
Compound name
3-(6-hexyl-6-azabicyclo[3.2.1]octan-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

287.2249 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.232176 173.5
[M+Na]+ 310.214118 177.9
[M-H]- 286.217624 175.5
[M+NH4]+ 305.258723 192.5
[M+K]+ 326.188058 172.5
[M+H-H2O]+ 270.222160 165.9
[M+HCOO]- 332.223101 188.2
[M+CH3COO]- 346.238751 200.8
[M+Na-2H]- 308.199566 175.2
[M]+ 287.22435142 171.1
[M]- 287.22544858 171.1
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

patents stripe