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]+ 260.20088 164.3
[M+Na]+ 282.18282 170.6
[M-H]- 258.18632 167.2
[M+NH4]+ 277.22742 184.8
[M+K]+ 298.15676 165.7
[M+H-H2O]+ 242.19086 157.4
[M+HCOO]- 304.19180 179.7
[M+CH3COO]- 318.20745 174.9
[M+Na-2H]- 280.16827 166.4
[M]+ 259.19305 161.7
[M]- 259.19415 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