CID 18459493

143543-67-3

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

CCN1CCC2=C1C=C(C=C2)N

InChI

InChI=1S/C10H14N2/c1-2-12-6-5-8-3-4-9(11)7-10(8)12/h3-4,7H,2,5-6,11H2,1H3

InChIKey

DASPMFXHFCNQHX-UHFFFAOYSA-N

Compound name

1-ethyl-2,3-dihydroindol-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 162.11569 Da
Monoisotopic Mass: 1.8
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]+	163.122966	134.5
[M+Na]+	185.104908	143.0
[M-H]-	161.108414	137.5
[M+NH4]+	180.149513	156.8
[M+K]+	201.078848	139.9
[M+H-H2O]+	145.112950	128.4
[M+HCOO]-	207.113891	157.2
[M+CH3COO]-	221.129541	181.1
[M+Na-2H]-	183.090356	139.9
[M]+	162.11514142	132.5
[M]-	162.11623858	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe