CID 3034492

6297-32-1

Structural Information

Molecular Formula

C₆H₁₃N₃S

SMILES

CN(C)NC(=S)NCC=C

InChI

InChI=1S/C6H13N3S/c1-4-5-7-6(10)8-9(2)3/h4H,1,5H2,2-3H3,(H2,7,8,10)

InChIKey

FAMIEALNJSAQER-UHFFFAOYSA-N

Compound name

1-(dimethylamino)-3-prop-2-enylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 159.08302 Da
Monoisotopic Mass: 0.8
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]+	160.09030	136.7
[M+Na]+	182.07224	143.6
[M+NH4]+	177.11684	144.3
[M+K]+	198.04618	137.0
[M-H]-	158.07574	137.7
[M+Na-2H]-	180.05769	139.6
[M]+	159.08247	138.0
[M]-	159.08357	138.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.