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 140.3
[M+Na]+ 199.08755 145.6
[M-H]- 175.09105 141.9
[M+NH4]+ 194.13215 161.1
[M+K]+ 215.06149 145.4
[M+H-H2O]+ 159.09559 134.1
[M+HCOO]- 221.09653 159.9
[M+CH3COO]- 235.11218 187.7
[M+Na-2H]- 197.07300 142.0
[M]+ 176.09778 143.5
[M]- 176.09888 143.5
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.