CID 13437360

2-(1h-pyrrol-2-yl)ethanamine

Structural Information

Molecular Formula

C₆H₁₀N₂

SMILES

C1=CNC(=C1)CCN

InChI

InChI=1S/C6H10N2/c7-4-3-6-2-1-5-8-6/h1-2,5,8H,3-4,7H2

InChIKey

IAZZNTYMXXEHHT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 253
Patents: 110.0844 Da
Monoisotopic Mass: 0.1
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]+	111.09168	121.5
[M+Na]+	133.07362	131.6
[M+NH4]+	128.11822	130.0
[M+K]+	149.04756	127.7
[M-H]-	109.07712	122.7
[M+Na-2H]-	131.05907	127.3
[M]+	110.08385	123.0
[M]-	110.08495	123.0

Literature stripe

literature stripe

Patent stripe

patents stripe