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 155.4
[M+Na]+ 279.14678 167.7
[M+NH4]+ 274.19138 166.2
[M+K]+ 295.12072 161.3
[M-H]- 255.15028 155.2
[M+Na-2H]- 277.13223 154.7
[M]+ 256.15701 157.1
[M]- 256.15811 157.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

No patent data available for this compound.