CID 707327

2-(1-pyrrolyl)benzylamine

Structural Information

Molecular Formula

C₁₁H₁₂N₂

SMILES

C1=CC=C(C(=C1)CN)N2C=CC=C2

InChI

InChI=1S/C11H12N2/c12-9-10-5-1-2-6-11(10)13-7-3-4-8-13/h1-8H,9,12H2

InChIKey

BNDYBXDAGIQWOB-UHFFFAOYSA-N

Compound name

(2-pyrrol-1-ylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 172.10005 Da
Monoisotopic Mass: 1.2
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]+	173.10733	135.7
[M+Na]+	195.08927	143.7
[M-H]-	171.09277	140.9
[M+NH4]+	190.13387	155.9
[M+K]+	211.06321	140.2
[M+H-H2O]+	155.09731	128.3
[M+HCOO]-	217.09825	161.1
[M+CH3COO]-	231.11390	149.4
[M+Na-2H]-	193.07472	141.7
[M]+	172.09950	133.8
[M]-	172.10060	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe