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]+ 244.16959 159.5
[M+Na]+ 266.15153 170.9
[M+NH4]+ 261.19613 170.1
[M+K]+ 282.12547 162.7
[M-H]- 242.15503 162.1
[M+Na-2H]- 264.13698 164.9
[M]+ 243.16176 161.9
[M]- 243.16286 161.9
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.