CID 43384743

3,3-dimethyl-1-(propan-2-yl)thiourea

Structural Information

Molecular Formula

C₆H₁₄N₂S

SMILES

CC(C)NC(=S)N(C)C

InChI

InChI=1S/C6H14N2S/c1-5(2)7-6(9)8(3)4/h5H,1-4H3,(H,7,9)

InChIKey

XGXHCVJTILIBIQ-UHFFFAOYSA-N

Compound name

1,1-dimethyl-3-propan-2-ylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 146.08777 Da
Monoisotopic Mass: 1.0
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]+	147.09505	133.0
[M+Na]+	169.07699	138.5
[M-H]-	145.08049	134.9
[M+NH4]+	164.12159	155.0
[M+K]+	185.05093	138.7
[M+H-H2O]+	129.08503	127.2
[M+HCOO]-	191.08597	151.6
[M+CH3COO]-	205.10162	183.6
[M+Na-2H]-	167.06244	133.9
[M]+	146.08722	133.7
[M]-	146.08832	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe