CID 1096385

26052-09-5

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

CNCC1=CC=CN1C

InChI

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

InChIKey

YEMKVBRHRNHHGE-UHFFFAOYSA-N

Compound name

N-methyl-1-(1-methylpyrrol-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 44
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	125.4
[M+Na]+	147.08927	136.6
[M+NH4]+	142.13387	134.3
[M+K]+	163.06321	132.1
[M-H]-	123.09277	127.3
[M+Na-2H]-	145.07472	131.8
[M]+	124.09950	127.3
[M]-	124.10060	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe