CID 44668

Indalpine

Structural Information

Molecular Formula
C15H20N2
SMILES
C1CNCCC1CCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,11-12,16-17H,5-10H2
InChIKey
SADQVAVFGNTEOD-UHFFFAOYSA-N
Compound name
3-(2-piperidin-4-ylethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

78
References

4916
Patents

228.16264 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.16992 153.1
[M+Na]+ 251.15186 158.8
[M-H]- 227.15536 154.4
[M+NH4]+ 246.19646 169.6
[M+K]+ 267.12580 152.3
[M+H-H2O]+ 211.15990 144.8
[M+HCOO]- 273.16084 169.3
[M+CH3COO]- 287.17649 163.2
[M+Na-2H]- 249.13731 157.3
[M]+ 228.16209 147.0
[M]- 228.16319 147.0
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