CID 3045768

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

Structural Information

Molecular Formula
C16H23NO
SMILES
CCN1C(C2(CCCC1C2)C3=CC(=CC=C3)O)C
InChI
InChI=1S/C16H23NO/c1-3-17-12(2)16(9-5-7-14(17)11-16)13-6-4-8-15(18)10-13/h4,6,8,10,12,14,18H,3,5,7,9,11H2,1-2H3
InChIKey
UOCWQDPHOVKPKR-UHFFFAOYSA-N
Compound name
3-(6-ethyl-7-methyl-6-azabicyclo[3.2.1]octan-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

245.17796 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.185236 159.7
[M+Na]+ 268.167178 166.5
[M-H]- 244.170684 162.8
[M+NH4]+ 263.211783 180.8
[M+K]+ 284.141118 161.8
[M+H-H2O]+ 228.175220 153.1
[M+HCOO]- 290.176161 175.5
[M+CH3COO]- 304.191811 170.8
[M+Na-2H]- 266.152626 162.4
[M]+ 245.17741142 156.8
[M]- 245.17850858 156.8
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