CID 10910177

4-(tert-butylsulfanyl)aniline

Structural Information

Molecular Formula

C₁₀H₁₅NS

SMILES

CC(C)(C)SC1=CC=C(C=C1)N

InChI

InChI=1S/C10H15NS/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,11H2,1-3H3

InChIKey

RIVJAEWJKBJWRF-UHFFFAOYSA-N

Compound name

4-tert-butylsulfanylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 181.09251 Da
Monoisotopic Mass: 2.7
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]+	182.099786	139.3
[M+Na]+	204.081728	147.1
[M-H]-	180.085234	142.9
[M+NH4]+	199.126333	159.9
[M+K]+	220.055668	143.9
[M+H-H2O]+	164.089770	133.9
[M+HCOO]-	226.090711	157.1
[M+CH3COO]-	240.106361	183.1
[M+Na-2H]-	202.067176	142.9
[M]+	181.09196142	139.8
[M]-	181.09305858	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe