CID 115575774

3,3-dimethyl-1-[2-(methylsulfanyl)ethyl]urea

Structural Information

Molecular Formula

C₆H₁₄N₂OS

SMILES

CN(C)C(=O)NCCSC

InChI

InChI=1S/C6H14N2OS/c1-8(2)6(9)7-4-5-10-3/h4-5H2,1-3H3,(H,7,9)

InChIKey

LQJOKQONAIXYDY-UHFFFAOYSA-N

Compound name

1,1-dimethyl-3-(2-methylsulfanylethyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.08269 Da
Monoisotopic Mass: 0.2
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]+	163.08997	136.6
[M+Na]+	185.07191	144.3
[M+NH4]+	180.11651	144.5
[M+K]+	201.04585	137.9
[M-H]-	161.07541	137.2
[M+Na-2H]-	183.05736	139.4
[M]+	162.08214	138.0
[M]-	162.08324	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe