CID 119986

Pyrrole, 2-((n-acetyl-n-ethylamino)methyl)-

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

CCN(CC1=CC=CN1)C(=O)C

InChI

InChI=1S/C9H14N2O/c1-3-11(8(2)12)7-9-5-4-6-10-9/h4-6,10H,3,7H2,1-2H3

InChIKey

HNXYMNAOMXCHIY-UHFFFAOYSA-N

Compound name

N-ethyl-N-(1H-pyrrol-2-ylmethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.11061 Da
Monoisotopic Mass: 0.4
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]+	167.11789	138.0
[M+Na]+	189.09983	144.2
[M-H]-	165.10333	140.2
[M+NH4]+	184.14443	158.6
[M+K]+	205.07377	143.3
[M+H-H2O]+	149.10787	131.2
[M+HCOO]-	211.10881	161.4
[M+CH3COO]-	225.12446	181.0
[M+Na-2H]-	187.08528	141.7
[M]+	166.11006	137.7
[M]-	166.11116	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe