CID 11831189

7-ethyl-3-(piperidin-4-yl)-1h-indole

Structural Information

Molecular Formula
C15H20N2
SMILES
CCC1=C2C(=CC=C1)C(=CN2)C3CCNCC3
InChI
InChI=1S/C15H20N2/c1-2-11-4-3-5-13-14(10-17-15(11)13)12-6-8-16-9-7-12/h3-5,10,12,16-17H,2,6-9H2,1H3
InChIKey
UNCXOQBRFONUFS-UHFFFAOYSA-N
Compound name
7-ethyl-3-piperidin-4-yl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

228.16264 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.16992 153.7
[M+Na]+ 251.15186 160.3
[M-H]- 227.15536 155.5
[M+NH4]+ 246.19646 170.5
[M+K]+ 267.12580 153.8
[M+H-H2O]+ 211.15990 145.7
[M+HCOO]- 273.16084 169.9
[M+CH3COO]- 287.17649 164.2
[M+Na-2H]- 249.13731 157.1
[M]+ 228.16209 148.0
[M]- 228.16319 148.0
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