CID 19026

3-(piperidin-4-ylmethyl)-1h-indole

Structural Information

Molecular Formula
C14H18N2
SMILES
C1CNCCC1CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C14H18N2/c1-2-4-14-13(3-1)12(10-16-14)9-11-5-7-15-8-6-11/h1-4,10-11,15-16H,5-9H2
InChIKey
HKYWCJOLDLYIOL-UHFFFAOYSA-N
Compound name
3-(piperidin-4-ylmethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
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 150.1
[M+Na]+ 237.13622 163.1
[M+NH4]+ 232.18082 159.3
[M+K]+ 253.11016 156.8
[M-H]- 213.13972 153.4
[M+Na-2H]- 235.12167 157.2
[M]+ 214.14645 152.8
[M]- 214.14755 152.8
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

patents stripe