CID 165670896

1872835-03-4

Structural Information

Molecular Formula
C7H16N2O2S
SMILES
CN(CCO)C(=O)NCCSC
InChI
InChI=1S/C7H16N2O2S/c1-9(4-5-10)7(11)8-3-6-12-2/h10H,3-6H2,1-2H3,(H,8,11)
InChIKey
GMEAXZWWKZZBOF-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-1-methyl-3-(2-methylsulfanylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.09325 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.100526 143.6
[M+Na]+ 215.082468 148.2
[M-H]- 191.085974 143.5
[M+NH4]+ 210.127073 162.8
[M+K]+ 231.056408 147.5
[M+H-H2O]+ 175.090510 137.3
[M+HCOO]- 237.091451 161.9
[M+CH3COO]- 251.107101 187.1
[M+Na-2H]- 213.067916 144.8
[M]+ 192.09270142 146.2
[M]- 192.09379858 146.2
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.