CID 115636311

3,3-dimethyl-1-[3-(methylsulfanyl)propyl]urea

Structural Information

Molecular Formula
C7H16N2OS
SMILES
CN(C)C(=O)NCCCSC
InChI
InChI=1S/C7H16N2OS/c1-9(2)7(10)8-5-4-6-11-3/h4-6H2,1-3H3,(H,8,10)
InChIKey
DVECRBHJVMXATJ-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3-(3-methylsulfanylpropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.09833 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10561 140.9
[M+Na]+ 199.08755 148.3
[M+NH4]+ 194.13215 148.6
[M+K]+ 215.06149 141.7
[M-H]- 175.09105 141.4
[M+Na-2H]- 197.07300 143.5
[M]+ 176.09778 142.2
[M]- 176.09888 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.