CID 24843436

96804-62-5

Structural Information

Molecular Formula

C₁₀H₁₉N₃O₂S

SMILES

CN(C)N(CCC(=O)OC)C(=S)NCC=C

InChI

InChI=1S/C10H19N3O2S/c1-5-7-11-10(16)13(12(2)3)8-6-9(14)15-4/h5H,1,6-8H2,2-4H3,(H,11,16)

InChIKey

RVZDRMHSBOXMOY-UHFFFAOYSA-N

Compound name

methyl 3-[dimethylamino(prop-2-enylcarbamothioyl)amino]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 245.1198 Da
Monoisotopic Mass: 0.9
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]+	246.127076	159.5
[M+Na]+	268.109018	162.9
[M-H]-	244.112524	161.9
[M+NH4]+	263.153623	177.4
[M+K]+	284.082958	163.1
[M+H-H2O]+	228.117060	151.9
[M+HCOO]-	290.118001	179.0
[M+CH3COO]-	304.133651	205.6
[M+Na-2H]-	266.094466	158.4
[M]+	245.11925142	163.4
[M]-	245.12034858	163.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe