CID 65589410

2241141-42-2

Structural Information

Molecular Formula

C₁₂H₁₃N

SMILES

C#CC(C1CCC2=CC=CC=C12)N

InChI

InChI=1S/C12H13N/c1-2-12(13)11-8-7-9-5-3-4-6-10(9)11/h1,3-6,11-12H,7-8,13H2

InChIKey

IFTXHIPDAPWSQP-UHFFFAOYSA-N

Compound name

1-(2,3-dihydro-1H-inden-1-yl)prop-2-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 171.1048 Da
Monoisotopic Mass: 1.6
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]+	172.112076	143.9
[M+Na]+	194.094018	153.6
[M-H]-	170.097524	146.0
[M+NH4]+	189.138623	164.0
[M+K]+	210.067958	147.0
[M+H-H2O]+	154.102060	132.3
[M+HCOO]-	216.103001	160.4
[M+CH3COO]-	230.118651	155.0
[M+Na-2H]-	192.079466	146.4
[M]+	171.10425142	135.2
[M]-	171.10534858	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe