CID 59730499

100911-22-6

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

CNCCN1C=CC=C1

InChI

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

InChIKey

UGOZVQRJDQYTKT-UHFFFAOYSA-N

Compound name

N-methyl-2-pyrrol-1-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 124.10005 Da
Monoisotopic Mass: 0.2
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	125.0
[M+Na]+	147.08927	132.3
[M-H]-	123.09277	127.2
[M+NH4]+	142.13387	147.4
[M+K]+	163.06321	131.1
[M+H-H2O]+	107.09731	118.5
[M+HCOO]-	169.09825	150.7
[M+CH3COO]-	183.11390	172.9
[M+Na-2H]-	145.07472	132.3
[M]+	124.09950	124.6
[M]-	124.10060	124.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe