CID 2724026

21018-38-2

Structural Information

Molecular Formula

C₆H₁₂N₂S

SMILES

CC(=C)CNC(=S)NC

InChI

InChI=1S/C6H12N2S/c1-5(2)4-8-6(9)7-3/h1,4H2,2-3H3,(H2,7,8,9)

InChIKey

UUXUIXBWRPPCIS-UHFFFAOYSA-N

Compound name

1-methyl-3-(2-methylprop-2-enyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 144.07211 Da
Monoisotopic Mass: 1.2
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]+	145.07939	133.2
[M+Na]+	167.06133	140.9
[M+NH4]+	162.10593	141.0
[M+K]+	183.03527	134.2
[M-H]-	143.06483	133.5
[M+Na-2H]-	165.04678	135.8
[M]+	144.07156	134.5
[M]-	144.07266	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe