CID 107295546

3,3-dimethyl-1-[(thiolan-3-yl)methyl]urea

Structural Information

Molecular Formula
C8H16N2OS
SMILES
CN(C)C(=O)NCC1CCSC1
InChI
InChI=1S/C8H16N2OS/c1-10(2)8(11)9-5-7-3-4-12-6-7/h7H,3-6H2,1-2H3,(H,9,11)
InChIKey
XROOUIPEQRZRJJ-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3-(thiolan-3-ylmethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.09833 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10561 143.7
[M+Na]+ 211.08755 148.1
[M-H]- 187.09105 148.1
[M+NH4]+ 206.13215 165.5
[M+K]+ 227.06149 147.9
[M+H-H2O]+ 171.09559 137.3
[M+HCOO]- 233.09653 162.8
[M+CH3COO]- 247.11218 186.8
[M+Na-2H]- 209.07300 143.8
[M]+ 188.09778 143.0
[M]- 188.09888 143.0
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.