CID 16784186

2-(aminomethyl)-n-tert-butylbenzene-1-sulfonamide

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₂S

SMILES

CC(C)(C)NS(=O)(=O)C1=CC=CC=C1CN

InChI

InChI=1S/C11H18N2O2S/c1-11(2,3)13-16(14,15)10-7-5-4-6-9(10)8-12/h4-7,13H,8,12H2,1-3H3

InChIKey

ARJLJEDVAZLVPJ-UHFFFAOYSA-N

Compound name

2-(aminomethyl)-N-tert-butylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.1089 Da
Monoisotopic Mass: 0.7
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]+	243.116176	154.1
[M+Na]+	265.098118	161.0
[M-H]-	241.101624	157.3
[M+NH4]+	260.142723	171.5
[M+K]+	281.072058	157.6
[M+H-H2O]+	225.106160	148.0
[M+HCOO]-	287.107101	171.6
[M+CH3COO]-	301.122751	194.0
[M+Na-2H]-	263.083566	158.7
[M]+	242.10835142	154.9
[M]-	242.10944858	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.