CID 33754749

3468-21-1

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

CNCC1=CC2=C(C=C1)C=CN2

InChI

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

InChIKey

LJHCAAWWHYJYHM-UHFFFAOYSA-N

Compound name

1-(1H-indol-6-yl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 160.10005 Da
Monoisotopic Mass: 2.3
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	131.4
[M+Na]+	183.08927	140.5
[M-H]-	159.09277	133.8
[M+NH4]+	178.13387	153.1
[M+K]+	199.06321	136.4
[M+H-H2O]+	143.09731	125.2
[M+HCOO]-	205.09825	156.1
[M+CH3COO]-	219.11390	145.3
[M+Na-2H]-	181.07472	140.1
[M]+	160.09950	131.0
[M]-	160.10060	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe