CID 66059

3-pyrroline

Structural Information

Molecular Formula

SMILES

C1C=CCN1

InChI

InChI=1S/C4H7N/c1-2-4-5-3-1/h1-2,5H,3-4H2

InChIKey

JVQIKJMSUIMUDI-UHFFFAOYSA-N

Compound name

2,5-dihydro-1H-pyrrole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 57
References: 61350
Patents: 69.057846 Da
Monoisotopic Mass: 0.0
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]+	70.065122	110.8
[M+Na]+	92.047064	117.8
[M-H]-	68.050570	111.4
[M+NH4]+	87.091669	134.6
[M+K]+	108.02100	116.9
[M+H-H2O]+	52.055106	105.3
[M+HCOO]-	114.05605	133.4
[M+CH3COO]-	128.07170	155.7
[M+Na-2H]-	90.032512	118.5
[M]+	69.057297	106.3
[M]-	69.058395	106.3

Literature stripe

literature stripe

Patent stripe

patents stripe