CID 702235

17403-09-7

Structural Information

Molecular Formula
C13H16N2
SMILES
C1CNCCC1C2=CNC3=CC=CC=C32
InChI
InChI=1S/C13H16N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-4,9-10,14-15H,5-8H2
InChIKey
KAIRZPVWWIMPFT-UHFFFAOYSA-N
Compound name
3-piperidin-4-yl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

898
Patents

200.13135 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.138626 144.2
[M+Na]+ 223.120568 150.7
[M-H]- 199.124074 145.9
[M+NH4]+ 218.165173 161.8
[M+K]+ 239.094508 144.7
[M+H-H2O]+ 183.128610 136.3
[M+HCOO]- 245.129551 161.0
[M+CH3COO]- 259.145201 155.2
[M+Na-2H]- 221.106016 149.4
[M]+ 200.13080142 137.4
[M]- 200.13189858 137.4
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.