CID 61058546

1216141-63-7

Structural Information

Molecular Formula

C₄H₁₀N₂O₂S

SMILES

CS(=O)(=O)CCC(=N)N

InChI

InChI=1S/C4H10N2O2S/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H3,5,6)

InChIKey

VAQQMLUTXQDTRN-UHFFFAOYSA-N

Compound name

3-methylsulfonylpropanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 150.0463 Da
Monoisotopic Mass: -1.5
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]+	151.053576	128.8
[M+Na]+	173.035518	135.8
[M-H]-	149.039024	128.9
[M+NH4]+	168.080123	149.4
[M+K]+	189.009458	134.0
[M+H-H2O]+	133.043560	123.7
[M+HCOO]-	195.044501	147.3
[M+CH3COO]-	209.060151	176.4
[M+Na-2H]-	171.020966	132.3
[M]+	150.04575142	128.1
[M]-	150.04684858	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe