CID 136589

1-aminopyrrole

Structural Information

Molecular Formula

C₄H₆N₂

SMILES

C1=CN(C=C1)N

InChI

InChI=1S/C4H6N2/c5-6-3-1-2-4-6/h1-4H,5H2

InChIKey

YNZAFFFENDLJQG-UHFFFAOYSA-N

Compound name

pyrrol-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 1325
Patents: 82.0531 Da
Monoisotopic Mass: 1.0
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]+	83.060376	111.4
[M+Na]+	105.04232	120.0
[M-H]-	81.045824	113.6
[M+NH4]+	100.08692	135.3
[M+K]+	121.01626	119.3
[M+H-H2O]+	65.050360	105.6
[M+HCOO]-	127.05130	137.5
[M+CH3COO]-	141.06695	163.0
[M+Na-2H]-	103.02777	119.4
[M]+	82.052551	109.0
[M]-	82.053649	109.0

Literature stripe

literature stripe

Patent stripe

patents stripe