CID 72007971

1385442-80-7

Structural Information

Molecular Formula
C10H22N2O2S
SMILES
CC(CCSC)N(C)C(=O)NCCOC
InChI
InChI=1S/C10H22N2O2S/c1-9(5-8-15-4)12(2)10(13)11-6-7-14-3/h9H,5-8H2,1-4H3,(H,11,13)
InChIKey
UHWBDSSCTNRKSA-UHFFFAOYSA-N
Compound name
3-(2-methoxyethyl)-1-methyl-1-(4-methylsulfanylbutan-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.1402 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14748 156.9
[M+Na]+ 257.12942 162.9
[M+NH4]+ 252.17402 163.3
[M+K]+ 273.10336 156.9
[M-H]- 233.13292 156.5
[M+Na-2H]- 255.11487 158.0
[M]+ 234.13965 157.6
[M]- 234.14075 157.6
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.