CID 18967930

2-methanesulfonylethanimidamide hydrochloride

Structural Information

Molecular Formula

C₃H₈N₂O₂S

SMILES

CS(=O)(=O)CC(=N)N

InChI

InChI=1S/C3H8N2O2S/c1-8(6,7)2-3(4)5/h2H2,1H3,(H3,4,5)

InChIKey

BNWHJVHAENLIEB-UHFFFAOYSA-N

Compound name

2-methylsulfonylethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 136.03065 Da
Monoisotopic Mass: -1.4
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]+	137.03793	124.4
[M+Na]+	159.01987	131.8
[M-H]-	135.02337	124.7
[M+NH4]+	154.06447	145.5
[M+K]+	174.99381	130.3
[M+H-H2O]+	119.02791	119.5
[M+HCOO]-	181.02885	143.2
[M+CH3COO]-	195.04450	173.4
[M+Na-2H]-	157.00532	128.4
[M]+	136.03010	123.3
[M]-	136.03120	123.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe