CID 3043269

4-(benzylthio)benzylamine hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₅NS

SMILES

C1=CC=C(C=C1)CSC2=CC=C(C=C2)CN

InChI

InChI=1S/C14H15NS/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9H,10-11,15H2

InChIKey

LSJLOSRQWIDAMT-UHFFFAOYSA-N

Compound name

(4-benzylsulfanylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 229.09251 Da
Monoisotopic Mass: 2.8
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]+	230.09979	150.0
[M+Na]+	252.08173	164.3
[M+NH4]+	247.12633	160.4
[M+K]+	268.05567	153.3
[M-H]-	228.08523	156.5
[M+Na-2H]-	250.06718	160.1
[M]+	229.09196	154.5
[M]-	229.09306	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe