CID 24265150

614746-07-5

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

C1CNCCC1CN2C=CC=C2

InChI

InChI=1S/C10H16N2/c1-2-8-12(7-1)9-10-3-5-11-6-4-10/h1-2,7-8,10-11H,3-6,9H2

InChIKey

KDKCBSOKQNGPLP-UHFFFAOYSA-N

Compound name

4-(pyrrol-1-ylmethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 164.13135 Da
Monoisotopic Mass: 0.9
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]+	165.138626	137.7
[M+Na]+	187.120568	142.4
[M-H]-	163.124074	139.1
[M+NH4]+	182.165173	156.1
[M+K]+	203.094508	139.3
[M+H-H2O]+	147.128610	129.5
[M+HCOO]-	209.129551	155.7
[M+CH3COO]-	223.145201	149.0
[M+Na-2H]-	185.106016	141.6
[M]+	164.13080142	130.9
[M]-	164.13189858	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe