CID 21950026

408356-52-5

Structural Information

Molecular Formula

C₉H₁₀N₂

SMILES

C1=CC2=C(C(=C1)CN)NC=C2

InChI

InChI=1S/C9H10N2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5,11H,6,10H2

InChIKey

NMNYQFZHZZSSQC-UHFFFAOYSA-N

Compound name

1H-indol-7-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 146.0844 Da
Monoisotopic Mass: 1.1
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]+	147.09168	127.1
[M+Na]+	169.07362	136.8
[M-H]-	145.07712	129.2
[M+NH4]+	164.11822	149.2
[M+K]+	185.04756	132.6
[M+H-H2O]+	129.08166	121.2
[M+HCOO]-	191.08260	151.6
[M+CH3COO]-	205.09825	141.3
[M+Na-2H]-	167.05907	135.4
[M]+	146.08385	125.5
[M]-	146.08495	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe