CID 565058

1-methyl-1h-pyrrole-2-ethylamine

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

CN1C=CC=C1CCN

InChI

InChI=1S/C7H12N2/c1-9-6-2-3-7(9)4-5-8/h2-3,6H,4-5,8H2,1H3

InChIKey

ITFDYXKCBZEBDG-UHFFFAOYSA-N

Compound name

2-(1-methylpyrrol-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 837
Patents: 124.10005 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]+	125.107326	125.2
[M+Na]+	147.089268	133.4
[M-H]-	123.092774	127.2
[M+NH4]+	142.133873	147.7
[M+K]+	163.063208	131.8
[M+H-H2O]+	107.097310	119.0
[M+HCOO]-	169.098251	150.2
[M+CH3COO]-	183.113901	173.3
[M+Na-2H]-	145.074716	130.7
[M]+	124.09950142	124.2
[M]-	124.10059858	124.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe