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 157.4
[M+Na]+ 257.12942 161.0
[M-H]- 233.13292 158.4
[M+NH4]+ 252.17402 175.7
[M+K]+ 273.10336 161.0
[M+H-H2O]+ 217.13746 150.4
[M+HCOO]- 279.13840 175.3
[M+CH3COO]- 293.15405 199.6
[M+Na-2H]- 255.11487 156.6
[M]+ 234.13965 162.5
[M]- 234.14075 162.5
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.