CID 23004730

883549-96-0

Structural Information

Molecular Formula

C₁₄H₂₀N₂

SMILES

C1CNCCC1CN2CCC3=CC=CC=C32

InChI

InChI=1S/C14H20N2/c1-2-4-14-13(3-1)7-10-16(14)11-12-5-8-15-9-6-12/h1-4,12,15H,5-11H2

InChIKey

VABLPIUSNHGKPZ-UHFFFAOYSA-N

Compound name

1-(piperidin-4-ylmethyl)-2,3-dihydroindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 216.16264 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	217.169916	151.5
[M+Na]+	239.151858	155.9
[M-H]-	215.155364	153.5
[M+NH4]+	234.196463	168.9
[M+K]+	255.125798	151.0
[M+H-H2O]+	199.159900	142.8
[M+HCOO]-	261.160841	166.6
[M+CH3COO]-	275.176491	161.5
[M+Na-2H]-	237.137306	154.4
[M]+	216.16209142	143.8
[M]-	216.16318858	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe