CID 12479982

2-(3-indolylmethyl)-3-quinuclidinol hydrochloride

Structural Information

Molecular Formula
C16H20N2O
SMILES
C1CN2CCC1C(C2CC3=CNC4=CC=CC=C43)O
InChI
InChI=1S/C16H20N2O/c19-16-11-5-7-18(8-6-11)15(16)9-12-10-17-14-4-2-1-3-13(12)14/h1-4,10-11,15-17,19H,5-9H2
InChIKey
OSCZJBDYDADRIT-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.15756 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 154.1
[M+Na]+ 279.14678 159.4
[M-H]- 255.15028 150.1
[M+NH4]+ 274.19138 174.2
[M+K]+ 295.12072 153.3
[M+H-H2O]+ 239.15482 147.0
[M+HCOO]- 301.15576 162.0
[M+CH3COO]- 315.17141 162.8
[M+Na-2H]- 277.13223 162.6
[M]+ 256.15701 153.8
[M]- 256.15811 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.