CID 21347

Indole, 3-(3-piperidylmethyl)-

Structural Information

Molecular Formula
C14H18N2
SMILES
C1CC(CNC1)CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C14H18N2/c1-2-6-14-13(5-1)12(10-16-14)8-11-4-3-7-15-9-11/h1-2,5-6,10-11,15-16H,3-4,7-9H2
InChIKey
ZPDWYCFLVVDESE-UHFFFAOYSA-N
Compound name
3-(piperidin-3-ylmethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.147 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.15428 148.7
[M+Na]+ 237.13622 154.8
[M-H]- 213.13972 150.2
[M+NH4]+ 232.18082 165.7
[M+K]+ 253.11016 148.5
[M+H-H2O]+ 197.14426 140.5
[M+HCOO]- 259.14520 165.2
[M+CH3COO]- 273.16085 159.2
[M+Na-2H]- 235.12167 153.4
[M]+ 214.14645 142.2
[M]- 214.14755 142.2
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.