CID 13437354

2-(1h-pyrrol-3-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula

C₆H₁₀N₂

SMILES

C1=CNC=C1CCN

InChI

InChI=1S/C6H10N2/c7-3-1-6-2-4-8-5-6/h2,4-5,8H,1,3,7H2

InChIKey

ZBJSHMBQYSDTGK-UHFFFAOYSA-N

Compound name

2-(1H-pyrrol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 110.0844 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]+	111.091676	121.3
[M+Na]+	133.073618	128.6
[M-H]-	109.077124	121.7
[M+NH4]+	128.118223	143.3
[M+K]+	149.047558	126.3
[M+H-H2O]+	93.081660	115.2
[M+HCOO]-	155.082601	145.2
[M+CH3COO]-	169.098251	166.5
[M+Na-2H]-	131.059066	127.6
[M]+	110.08385142	117.6
[M]-	110.08494858	117.6

Literature stripe

literature stripe

Patent stripe

patents stripe