CID 86123774

1,3-bis[2-(methylsulfanyl)ethyl]urea

Structural Information

Molecular Formula
C7H16N2OS2
SMILES
CSCCNC(=O)NCCSC
InChI
InChI=1S/C7H16N2OS2/c1-11-5-3-8-7(10)9-4-6-12-2/h3-6H2,1-2H3,(H2,8,9,10)
InChIKey
QDSHCZJLTWLUDV-UHFFFAOYSA-N
Compound name
1,3-bis(2-methylsulfanylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.0704 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07768 143.7
[M+Na]+ 231.05962 148.4
[M-H]- 207.06312 143.0
[M+NH4]+ 226.10422 162.3
[M+K]+ 247.03356 144.8
[M+H-H2O]+ 191.06766 137.0
[M+HCOO]- 253.06860 156.5
[M+CH3COO]- 267.08425 189.0
[M+Na-2H]- 229.04507 144.0
[M]+ 208.06985 145.9
[M]- 208.07095 145.9
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.