CID 3045780

Endo-(+-)-3-(7-methyl-6-propyl-6-azabicyclo(3.2.1)oct-1-yl)phenol hydrochloride

Structural Information

Molecular Formula
C17H25NO
SMILES
CCCN1C(C2(CCCC1C2)C3=CC(=CC=C3)O)C
InChI
InChI=1S/C17H25NO/c1-3-10-18-13(2)17(9-5-7-15(18)12-17)14-6-4-8-16(19)11-14/h4,6,8,11,13,15,19H,3,5,7,9-10,12H2,1-2H3
InChIKey
UYESFPZRWSNTJU-UHFFFAOYSA-N
Compound name
3-(7-methyl-6-propyl-6-azabicyclo[3.2.1]octan-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

259.1936 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.200876 164.3
[M+Na]+ 282.182818 170.6
[M-H]- 258.186324 167.2
[M+NH4]+ 277.227423 184.8
[M+K]+ 298.156758 165.7
[M+H-H2O]+ 242.190860 157.4
[M+HCOO]- 304.191801 179.7
[M+CH3COO]- 318.207451 174.9
[M+Na-2H]- 280.168266 166.4
[M]+ 259.19305142 161.7
[M]- 259.19414858 161.7
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

patents stripe