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]+ 257.164836 154.1
[M+Na]+ 279.146778 159.4
[M-H]- 255.150284 150.1
[M+NH4]+ 274.191383 174.2
[M+K]+ 295.120718 153.3
[M+H-H2O]+ 239.154820 147.0
[M+HCOO]- 301.155761 162.0
[M+CH3COO]- 315.171411 162.8
[M+Na-2H]- 277.132226 162.6
[M]+ 256.15701142 153.8
[M]- 256.15810858 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.