CID 3034714

51672-22-1

Structural Information

Molecular Formula

C₇H₁₅N₃OS

SMILES

CC(C)(C)C(=O)NNC(=S)NC

InChI

InChI=1S/C7H15N3OS/c1-7(2,3)5(11)9-10-6(12)8-4/h1-4H3,(H,9,11)(H2,8,10,12)

InChIKey

RBCVXENZZZVCFS-UHFFFAOYSA-N

Compound name

1-(2,2-dimethylpropanoylamino)-3-methylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 189.09358 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]+	190.10086	145.6
[M+Na]+	212.08280	151.0
[M+NH4]+	207.12740	151.9
[M+K]+	228.05674	146.2
[M-H]-	188.08630	144.8
[M+Na-2H]-	210.06825	147.0
[M]+	189.09303	146.1
[M]-	189.09413	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe