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 158.9
[M+Na]+ 266.15153 165.1
[M-H]- 242.15503 161.6
[M+NH4]+ 261.19613 179.7
[M+K]+ 282.12547 159.7
[M+H-H2O]+ 226.15957 152.0
[M+HCOO]- 288.16051 174.9
[M+CH3COO]- 302.17616 169.7
[M+Na-2H]- 264.13698 162.3
[M]+ 243.16176 154.9
[M]- 243.16286 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.