CID 21648293

133276-00-3

Structural Information

Molecular Formula

C₁₄H₁₅NS

SMILES

C1C(CC2=CC=CC=C21)NCC3=CC=CS3

InChI

InChI=1S/C14H15NS/c1-2-5-12-9-13(8-11(12)4-1)15-10-14-6-3-7-16-14/h1-7,13,15H,8-10H2

InChIKey

XXIPRPBXMPLBMS-UHFFFAOYSA-N

Compound name

N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 229.09251 Da
Monoisotopic Mass: 3.1
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]+	230.09979	150.6
[M+Na]+	252.08173	158.7
[M-H]-	228.08523	158.7
[M+NH4]+	247.12633	173.8
[M+K]+	268.05567	154.3
[M+H-H2O]+	212.08977	145.0
[M+HCOO]-	274.09071	171.3
[M+CH3COO]-	288.10636	164.0
[M+Na-2H]-	250.06718	152.5
[M]+	229.09196	151.4
[M]-	229.09306	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe