CID 4585582

60794-90-3

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

C1=CN(C=C1)CCCN

InChI

InChI=1S/C7H12N2/c8-4-3-7-9-5-1-2-6-9/h1-2,5-6H,3-4,7-8H2

InChIKey

CNRYJJXBFLHSJP-UHFFFAOYSA-N

Compound name

3-pyrrol-1-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 148
Patents: 124.10005 Da
Monoisotopic Mass: 0.0
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]+	125.10733	125.7
[M+Na]+	147.08927	136.2
[M+NH4]+	142.13387	134.4
[M+K]+	163.06321	131.7
[M-H]-	123.09277	127.4
[M+Na-2H]-	145.07472	131.8
[M]+	124.09950	127.4
[M]-	124.10060	127.4

Literature stripe

literature stripe

Patent stripe

patents stripe