CID 96388

36284-95-4

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

CNCC1=CNC2=CC=CC=C21

InChI

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

InChIKey

BIFJNBXQXNWYOL-UHFFFAOYSA-N

Compound name

1-(1H-indol-3-yl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 3
References: 354
Patents: 160.10005 Da
Monoisotopic Mass: 1.3
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]+	161.107326	131.4
[M+Na]+	183.089268	140.5
[M-H]-	159.092774	133.8
[M+NH4]+	178.133873	153.1
[M+K]+	199.063208	136.4
[M+H-H2O]+	143.097310	125.2
[M+HCOO]-	205.098251	156.1
[M+CH3COO]-	219.113901	145.3
[M+Na-2H]-	181.074716	140.1
[M]+	160.09950142	131.0
[M]-	160.10059858	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe