CID 30438

21000-95-3

Structural Information

Molecular Formula
C15H20N2
SMILES
CC1CCN(CC1)CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C15H20N2/c1-12-6-8-17(9-7-12)11-13-10-16-15-5-3-2-4-14(13)15/h2-5,10,12,16H,6-9,11H2,1H3
InChIKey
DGCGMYNLCDVYMB-UHFFFAOYSA-N
Compound name
3-[(4-methylpiperidin-1-yl)methyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

7
Patents

228.16264 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.169916 153.5
[M+Na]+ 251.151858 160.5
[M-H]- 227.155364 156.6
[M+NH4]+ 246.196463 171.0
[M+K]+ 267.125798 154.9
[M+H-H2O]+ 211.159900 145.1
[M+HCOO]- 273.160841 171.2
[M+CH3COO]- 287.176491 164.7
[M+Na-2H]- 249.137306 157.3
[M]+ 228.16209142 149.6
[M]- 228.16318858 149.6
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