CID 561506

1-benzyl-3-pyrroline

Structural Information

Molecular Formula

C₁₁H₁₃N

SMILES

C1C=CCN1CC2=CC=CC=C2

InChI

InChI=1S/C11H13N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-7H,8-10H2

InChIKey

LRFHKHHUKGZIGE-UHFFFAOYSA-N

Compound name

1-benzyl-2,5-dihydropyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 238
Patents: 159.1048 Da
Monoisotopic Mass: 2.0
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]+	160.11208	135.2
[M+Na]+	182.09402	148.7
[M+NH4]+	177.13862	145.2
[M+K]+	198.06796	142.3
[M-H]-	158.09752	139.4
[M+Na-2H]-	180.07947	144.5
[M]+	159.10425	138.3
[M]-	159.10535	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe