CID 45088655

2253632-31-2

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

CNC1=CN(C2=CC=CC=C21)C

InChI

InChI=1S/C10H12N2/c1-11-9-7-12(2)10-6-4-3-5-8(9)10/h3-7,11H,1-2H3

InChIKey

XJGWYGYUKLQABS-UHFFFAOYSA-N

Compound name

N,1-dimethylindol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
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	131.7
[M+Na]+	183.08927	145.6
[M+NH4]+	178.13387	141.5
[M+K]+	199.06321	139.9
[M-H]-	159.09277	135.0
[M+Na-2H]-	181.07472	139.6
[M]+	160.09950	134.6
[M]-	160.10060	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe