CID 3045772

Endo-(+-)-3-(7-methyl-6-(2-propenyl)-6-azabicyclo(3.2.1)oct-1-yl)phenol hydrochloride

Structural Information

Molecular Formula
C17H23NO
SMILES
CC1C2(CCCC(C2)N1CC=C)C3=CC(=CC=C3)O
InChI
InChI=1S/C17H23NO/c1-3-10-18-13(2)17(9-5-7-15(18)12-17)14-6-4-8-16(19)11-14/h3-4,6,8,11,13,15,19H,1,5,7,9-10,12H2,2H3
InChIKey
YKUCFLVISZHRDC-UHFFFAOYSA-N
Compound name
3-(7-methyl-6-prop-2-enyl-6-azabicyclo[3.2.1]octan-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.17798 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.185256 163.2
[M+Na]+ 280.167198 169.8
[M-H]- 256.170704 166.1
[M+NH4]+ 275.211803 183.6
[M+K]+ 296.141138 164.2
[M+H-H2O]+ 240.175240 156.4
[M+HCOO]- 302.176181 178.7
[M+CH3COO]- 316.191831 173.8
[M+Na-2H]- 278.152646 165.3
[M]+ 257.17743142 159.8
[M]- 257.17852858 159.8
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

No patent data available for this compound.