CID 82418883

1-(5-ethyl-1h-pyrrol-2-yl)methanamine hydrochloride

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

CCC1=CC=C(N1)CN

InChI

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

InChIKey

GUFHZYGWUDAKJR-UHFFFAOYSA-N

Compound name

(5-ethyl-1H-pyrrol-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 124.10005 Da
Monoisotopic Mass: 0.4
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	125.7
[M+Na]+	147.08927	136.0
[M+NH4]+	142.13387	134.0
[M+K]+	163.06321	132.1
[M-H]-	123.09277	126.9
[M+Na-2H]-	145.07472	131.0
[M]+	124.09950	127.2
[M]-	124.10060	127.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe