CID 12968

S-ethyl dipropylthiocarbamate

Structural Information

Molecular Formula
C9H19NOS
SMILES
CCCN(CCC)C(=O)SCC
InChI
InChI=1S/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3
InChIKey
GUVLYNGULCJVDO-UHFFFAOYSA-N
Compound name
S-ethyl N,N-dipropylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

32
References

25938
Patents

189.11873 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12601 145.1
[M+Na]+ 212.10795 150.5
[M-H]- 188.11145 146.6
[M+NH4]+ 207.15255 165.9
[M+K]+ 228.08189 150.0
[M+H-H2O]+ 172.11599 139.2
[M+HCOO]- 234.11693 163.2
[M+CH3COO]- 248.13258 189.0
[M+Na-2H]- 210.09340 145.5
[M]+ 189.11818 150.0
[M]- 189.11928 150.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe