CID 18525752

884507-17-9

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

CN1C=CC2=C1C=CC(=C2)CN

InChI

InChI=1S/C10H12N2/c1-12-5-4-9-6-8(7-11)2-3-10(9)12/h2-6H,7,11H2,1H3

InChIKey

XYCZKICJSDSNOW-UHFFFAOYSA-N

Compound name

(1-methylindol-5-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 160.10005 Da
Monoisotopic Mass: 1.6
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]+	161.10733	131.7
[M+Na]+	183.08927	145.4
[M+NH4]+	178.13387	141.4
[M+K]+	199.06321	139.9
[M-H]-	159.09277	134.9
[M+Na-2H]-	181.07472	139.1
[M]+	160.09950	134.6
[M]-	160.10060	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe