CID 13437356

1-(1h-pyrrol-3-yl)propan-2-amine

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

CC(CC1=CNC=C1)N

InChI

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

InChIKey

XMTHAWZPEGHZPK-UHFFFAOYSA-N

Compound name

1-(1H-pyrrol-3-yl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 124.10005 Da
Monoisotopic Mass: 0.5
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	126.5
[M+Na]+	147.08927	136.0
[M+NH4]+	142.13387	134.7
[M+K]+	163.06321	132.7
[M-H]-	123.09277	127.4
[M+Na-2H]-	145.07472	131.6
[M]+	124.09950	127.8
[M]-	124.10060	127.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.