CID 64405633

2138072-54-3

Structural Information

Molecular Formula

C₅H₁₃N₃O₂S

SMILES

CC(C)(C(=N)N)NS(=O)(=O)C

InChI

InChI=1S/C5H13N3O2S/c1-5(2,4(6)7)8-11(3,9)10/h8H,1-3H3,(H3,6,7)

InChIKey

YPKSJCDLSTZEGJ-UHFFFAOYSA-N

Compound name

2-(methanesulfonamido)-2-methylpropanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.07285 Da
Monoisotopic Mass: -1.0
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]+	180.08013	136.6
[M+Na]+	202.06207	142.5
[M-H]-	178.06557	136.5
[M+NH4]+	197.10667	155.5
[M+K]+	218.03601	140.9
[M+H-H2O]+	162.07011	131.2
[M+HCOO]-	224.07105	154.1
[M+CH3COO]-	238.08670	185.0
[M+Na-2H]-	200.04752	141.0
[M]+	179.07230	134.8
[M]-	179.07340	134.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.