CID 12778904

2-amino-1-pyrroline hydrochloride

Structural Information

Molecular Formula

C₄H₈N₂

SMILES

C1CC(=NC1)N

InChI

InChI=1S/C4H8N2/c5-4-2-1-3-6-4/h1-3H2,(H2,5,6)

InChIKey

NJBMZYSKLWQXLJ-UHFFFAOYSA-N

Compound name

3,4-dihydro-2H-pyrrol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 897
Patents: 84.06875 Da
Monoisotopic Mass: -0.9
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]+	85.076026	113.6
[M+Na]+	107.05797	121.1
[M-H]-	83.061474	115.4
[M+NH4]+	102.10257	137.2
[M+K]+	123.03191	120.6
[M+H-H2O]+	67.066010	107.7
[M+HCOO]-	129.06695	138.1
[M+CH3COO]-	143.08260	163.4
[M+Na-2H]-	105.04342	120.4
[M]+	84.068201	109.6
[M]-	84.069299	109.6

Literature stripe

literature stripe

Patent stripe

patents stripe