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: 53
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	131.9
[M+Na]+	167.06133	137.5
[M-H]-	143.06483	132.2
[M+NH4]+	162.10593	153.1
[M+K]+	183.03527	135.6
[M+H-H2O]+	127.06937	126.3
[M+HCOO]-	189.07031	150.1
[M+CH3COO]-	203.08596	179.1
[M+Na-2H]-	165.04678	133.4
[M]+	144.07156	130.5
[M]-	144.07266	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe