CID 23619587

Ns00047561

Structural Information

Molecular Formula
C8H18N2OS
SMILES
CCC(NC(=O)SCC)N(C)C
InChI
InChI=1S/C8H18N2OS/c1-5-7(10(3)4)9-8(11)12-6-2/h7H,5-6H2,1-4H3,(H,9,11)
InChIKey
PGBJLHWLPRLKEN-UHFFFAOYSA-N
Compound name
S-ethyl N-[1-(dimethylamino)propyl]carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.11398 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.121256 145.4
[M+Na]+ 213.103198 149.9
[M-H]- 189.106704 146.8
[M+NH4]+ 208.147803 165.5
[M+K]+ 229.077138 150.0
[M+H-H2O]+ 173.111240 139.0
[M+HCOO]- 235.112181 163.6
[M+CH3COO]- 249.127831 191.6
[M+Na-2H]- 211.088646 145.4
[M]+ 190.11343142 148.3
[M]- 190.11452858 148.3
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.