CID 3053797

2-(3-indolylmethyl)-3-quinuclidinone hydrochloride

Structural Information

Molecular Formula
C16H18N2O
SMILES
C1CN2CCC1C(=O)C2CC3=CNC4=CC=CC=C43
InChI
InChI=1S/C16H18N2O/c19-16-11-5-7-18(8-6-11)15(16)9-12-10-17-14-4-2-1-3-13(12)14/h1-4,10-11,15,17H,5-9H2
InChIKey
WMRCKLUHGBPTRM-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1419 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14918 153.1
[M+Na]+ 277.13112 159.0
[M-H]- 253.13462 150.5
[M+NH4]+ 272.17572 173.8
[M+K]+ 293.10506 153.1
[M+H-H2O]+ 237.13916 145.6
[M+HCOO]- 299.14010 162.7
[M+CH3COO]- 313.15575 162.5
[M+Na-2H]- 275.11657 161.9
[M]+ 254.14135 153.7
[M]- 254.14245 153.7
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.