CID 737232

118799-24-9

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

CC1=CC=C(N1C)CN

InChI

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

InChIKey

KMUHAJOXPNPERW-UHFFFAOYSA-N

Compound name

(1,5-dimethylpyrrol-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 51
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]+	125.10733	125.1
[M+Na]+	147.08927	136.4
[M+NH4]+	142.13387	133.8
[M+K]+	163.06321	132.3
[M-H]-	123.09277	126.9
[M+Na-2H]-	145.07472	130.8
[M]+	124.09950	127.0
[M]-	124.10060	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe