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]+ 258.18526 163.2
[M+Na]+ 280.16720 169.8
[M-H]- 256.17070 166.1
[M+NH4]+ 275.21180 183.6
[M+K]+ 296.14114 164.2
[M+H-H2O]+ 240.17524 156.4
[M+HCOO]- 302.17618 178.7
[M+CH3COO]- 316.19183 173.8
[M+Na-2H]- 278.15265 165.3
[M]+ 257.17743 159.8
[M]- 257.17853 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.