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]+ 288.23218 173.5
[M+Na]+ 310.21412 177.9
[M-H]- 286.21762 175.5
[M+NH4]+ 305.25872 192.5
[M+K]+ 326.18806 172.5
[M+H-H2O]+ 270.22216 165.9
[M+HCOO]- 332.22310 188.2
[M+CH3COO]- 346.23875 200.8
[M+Na-2H]- 308.19957 175.2
[M]+ 287.22435 171.1
[M]- 287.22545 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