CID 21802

Dtxsid80971360

Structural Information

Molecular Formula
C15H20N2
SMILES
CN1CCCC(C1)CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C15H20N2/c1-17-8-4-5-12(11-17)9-13-10-16-15-7-3-2-6-14(13)15/h2-3,6-7,10,12,16H,4-5,8-9,11H2,1H3
InChIKey
BZBXURJPKKRGRB-UHFFFAOYSA-N
Compound name
3-[(1-methylpiperidin-3-yl)methyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.16264 Da
Monoisotopic Mass

3.3
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.