CID 3045756

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

Structural Information

Molecular Formula
C16H21NO
SMILES
C=CCN1CC2(CCCC1C2)C3=CC(=CC=C3)O
InChI
InChI=1S/C16H21NO/c1-2-9-17-12-16(8-4-6-14(17)11-16)13-5-3-7-15(18)10-13/h2-3,5,7,10,14,18H,1,4,6,8-9,11-12H2
InChIKey
ZRCCRNBCKHEXTC-UHFFFAOYSA-N
Compound name
3-(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

243.16231 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.169586 158.9
[M+Na]+ 266.151528 165.1
[M-H]- 242.155034 161.6
[M+NH4]+ 261.196133 179.7
[M+K]+ 282.125468 159.7
[M+H-H2O]+ 226.159570 152.0
[M+HCOO]- 288.160511 174.9
[M+CH3COO]- 302.176161 169.7
[M+Na-2H]- 264.136976 162.3
[M]+ 243.16176142 154.9
[M]- 243.16285858 154.9
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.