CID 16794580

1170903-26-0

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂S

SMILES

C1CC1NS(=O)(=O)C2=CC=C(C=C2)CN

InChI

InChI=1S/C10H14N2O2S/c11-7-8-1-5-10(6-2-8)15(13,14)12-9-3-4-9/h1-2,5-6,9,12H,3-4,7,11H2

InChIKey

OQJFINYLNMCTKO-UHFFFAOYSA-N

Compound name

4-(aminomethyl)-N-cyclopropylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 226.0776 Da
Monoisotopic Mass: 0.3
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]+	227.08488	141.4
[M+Na]+	249.06682	150.1
[M-H]-	225.07032	148.5
[M+NH4]+	244.11142	154.5
[M+K]+	265.04076	145.4
[M+H-H2O]+	209.07486	134.9
[M+HCOO]-	271.07580	161.6
[M+CH3COO]-	285.09145	192.7
[M+Na-2H]-	247.05227	146.8
[M]+	226.07705	143.9
[M]-	226.07815	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe