CID 11085034

9-anthracenemethanamine

Structural Information

Molecular Formula

C₁₅H₁₃N

SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CN

InChI

InChI=1S/C15H13N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10,16H2

InChIKey

MEQDVTFZLJSMPO-UHFFFAOYSA-N

Compound name

anthracen-9-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 104
Patents: 207.1048 Da
Monoisotopic Mass: 3.6
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]+	208.112076	142.7
[M+Na]+	230.094018	152.6
[M-H]-	206.097524	148.3
[M+NH4]+	225.138623	163.6
[M+K]+	246.067958	147.0
[M+H-H2O]+	190.102060	136.1
[M+HCOO]-	252.103001	166.8
[M+CH3COO]-	266.118651	156.4
[M+Na-2H]-	228.079466	153.2
[M]+	207.10425142	142.8
[M]-	207.10534858	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe