CID 61692060

2-(ethylsulfanyl)propanimidamide hydrochloride

Structural Information

Molecular Formula

C₅H₁₂N₂S

SMILES

CCSC(C)C(=N)N

InChI

InChI=1S/C5H12N2S/c1-3-8-4(2)5(6)7/h4H,3H2,1-2H3,(H3,6,7)

InChIKey

KAOLUAQQLWVMDE-UHFFFAOYSA-N

Compound name

2-ethylsulfanylpropanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 132.07211 Da
Monoisotopic Mass: 0.7
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]+	133.079386	128.4
[M+Na]+	155.061328	133.9
[M-H]-	131.064834	128.2
[M+NH4]+	150.105933	149.7
[M+K]+	171.035268	132.5
[M+H-H2O]+	115.069370	122.9
[M+HCOO]-	177.070311	146.1
[M+CH3COO]-	191.085961	177.7
[M+Na-2H]-	153.046776	129.4
[M]+	132.07156142	126.5
[M]-	132.07265858	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.