CID 22891637

279226-15-2

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

CC(C1=CN(C=C1)C)N

InChI

InChI=1S/C7H12N2/c1-6(8)7-3-4-9(2)5-7/h3-6H,8H2,1-2H3

InChIKey

LOCUKVKZMLTDJC-UHFFFAOYSA-N

Compound name

1-(1-methylpyrrol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 124.10005 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]+	125.10733	125.8
[M+Na]+	147.08927	136.3
[M+NH4]+	142.13387	134.4
[M+K]+	163.06321	132.9
[M-H]-	123.09277	127.4
[M+Na-2H]-	145.07472	131.3
[M]+	124.09950	127.5
[M]-	124.10060	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe