CID 60120

2-(1-azabicyclo(2.2.2)oct-2-ylmethyl)-1-naphthalenol hydrochloride

Structural Information

Molecular Formula
C18H21NO
SMILES
C1CN2CCC1CC2CC3=C(C4=CC=CC=C4C=C3)O
InChI
InChI=1S/C18H21NO/c20-18-15(6-5-14-3-1-2-4-17(14)18)12-16-11-13-7-9-19(16)10-8-13/h1-6,13,16,20H,7-12H2
InChIKey
MUESROWRPMSLME-UHFFFAOYSA-N
Compound name
2-(1-azabicyclo[2.2.2]octan-2-ylmethyl)naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.16232 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 158.1
[M+Na]+ 290.15154 161.7
[M-H]- 266.15504 155.9
[M+NH4]+ 285.19614 177.5
[M+K]+ 306.12548 156.1
[M+H-H2O]+ 250.15958 149.8
[M+HCOO]- 312.16052 165.6
[M+CH3COO]- 326.17617 166.4
[M+Na-2H]- 288.13699 167.9
[M]+ 267.16177 156.9
[M]- 267.16287 156.9
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.