CID 2763816

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

Structural Information

Molecular Formula

C₆H₁₀N₂

SMILES

C1=CN(C=C1)CCN

InChI

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

InChIKey

HPDIRFBJYSOVKW-UHFFFAOYSA-N

Compound name

2-pyrrol-1-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 463
Patents: 110.0844 Da
Monoisotopic Mass: -0.3
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	120.7
[M+Na]+	133.073618	128.4
[M-H]-	109.077124	122.5
[M+NH4]+	128.118223	143.4
[M+K]+	149.047558	127.1
[M+H-H2O]+	93.081660	114.4
[M+HCOO]-	155.082601	146.1
[M+CH3COO]-	169.098251	169.1
[M+Na-2H]-	131.059066	127.5
[M]+	110.08385142	118.9
[M]-	110.08494858	118.9

Literature stripe

literature stripe

Patent stripe

patents stripe