CID 61058546

3-(methylsulfonyl)propanimidamide

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: 0
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]+	151.05358	131.3
[M+Na]+	173.03552	138.1
[M+NH4]+	168.08012	137.7
[M+K]+	189.00946	133.4
[M-H]-	149.03902	129.7
[M+Na-2H]-	171.02097	133.0
[M]+	150.04575	131.8
[M]-	150.04685	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.