CID 55296595

1-(2,3-dihydro-1h-indol-5-yl)ethan-1-amine

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

C[C@H](C1=CC2=C(C=C1)NCC2)N

InChI

InChI=1S/C10H14N2/c1-7(11)8-2-3-10-9(6-8)4-5-12-10/h2-3,6-7,12H,4-5,11H2,1H3/t7-/m1/s1

InChIKey

UQROIBMQDWLVQU-SSDOTTSWSA-N

Compound name

(1R)-1-(2,3-dihydro-1H-indol-5-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.11569 Da
Monoisotopic Mass: 1.2
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	135.6
[M+Na]+	185.104908	142.4
[M-H]-	161.108414	136.8
[M+NH4]+	180.149513	156.7
[M+K]+	201.078848	138.8
[M+H-H2O]+	145.112950	129.5
[M+HCOO]-	207.113891	155.7
[M+CH3COO]-	221.129541	178.2
[M+Na-2H]-	183.090356	139.9
[M]+	162.11514142	130.7
[M]-	162.11623858	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.