CID 16641592

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

Structural Information

Molecular Formula

C₆H₁₀N₂

SMILES

CC(C1=CC=CN1)N

InChI

InChI=1S/C6H10N2/c1-5(7)6-3-2-4-8-6/h2-5,8H,7H2,1H3

InChIKey

KYCDNQPIQHCAFW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 191
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]+	111.09168	122.0
[M+Na]+	133.07362	131.8
[M+NH4]+	128.11822	130.4
[M+K]+	149.04756	128.7
[M-H]-	109.07712	123.0
[M+Na-2H]-	131.05907	127.4
[M]+	110.08385	123.3
[M]-	110.08495	123.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe