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]+ 268.169596 158.1
[M+Na]+ 290.151538 161.7
[M-H]- 266.155044 155.9
[M+NH4]+ 285.196143 177.5
[M+K]+ 306.125478 156.1
[M+H-H2O]+ 250.159580 149.8
[M+HCOO]- 312.160521 165.6
[M+CH3COO]- 326.176171 166.4
[M+Na-2H]- 288.136986 167.9
[M]+ 267.16177142 156.9
[M]- 267.16286858 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.