CID 23295846

(1h-pyrrol-3-yl)methanamine

Structural Information

Molecular Formula

C₅H₈N₂

SMILES

C1=CNC=C1CN

InChI

InChI=1S/C5H8N2/c6-3-5-1-2-7-4-5/h1-2,4,7H,3,6H2

InChIKey

YECAHBRVIMAHCI-UHFFFAOYSA-N

Compound name

1H-pyrrol-3-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 96.06875 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]+	97.076026	117.0
[M+Na]+	119.05797	127.3
[M+NH4]+	114.10257	125.7
[M+K]+	135.03191	123.7
[M-H]-	95.061474	118.2
[M+Na-2H]-	117.04342	123.1
[M]+	96.068201	118.5
[M]-	96.069299	118.5

Literature stripe

literature stripe

Patent stripe

patents stripe