CID 24263921

2-(4-tert-butylbenzenesulfonyl)ethan-1-amine

Structural Information

Molecular Formula

C₁₂H₁₉NO₂S

SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CCN

InChI

InChI=1S/C12H19NO2S/c1-12(2,3)10-4-6-11(7-5-10)16(14,15)9-8-13/h4-7H,8-9,13H2,1-3H3

InChIKey

HVXRXGNDSDLWQP-UHFFFAOYSA-N

Compound name

2-(4-tert-butylphenyl)sulfonylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 241.11365 Da
Monoisotopic Mass: 1.9
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]+	242.120926	154.7
[M+Na]+	264.102868	162.2
[M-H]-	240.106374	158.0
[M+NH4]+	259.147473	172.6
[M+K]+	280.076808	158.7
[M+H-H2O]+	224.110910	149.0
[M+HCOO]-	286.111851	171.0
[M+CH3COO]-	300.127501	192.0
[M+Na-2H]-	262.088316	158.4
[M]+	241.11310142	156.8
[M]-	241.11419858	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe