CID 211124

Chembl364781

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

C1C(CN=C1N)C2=CC=CC=C2

InChI

InChI=1S/C10H12N2/c11-10-6-9(7-12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,11,12)

InChIKey

YFYOQDRJFPFZEO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 160.10005 Da
Monoisotopic Mass: 0.5
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]+	161.10733	132.8
[M+Na]+	183.08927	140.2
[M-H]-	159.09277	137.8
[M+NH4]+	178.13387	153.4
[M+K]+	199.06321	137.1
[M+H-H2O]+	143.09731	125.5
[M+HCOO]-	205.09825	157.0
[M+CH3COO]-	219.11390	146.4
[M+Na-2H]-	181.07472	138.2
[M]+	160.09950	129.0
[M]-	160.10060	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe