CID 3086834

Brn 4244907

Structural Information

Molecular Formula
C10H21NS3
SMILES
CCN(CC)C(=S)SC(C)SC(C)C
InChI
InChI=1S/C10H21NS3/c1-6-11(7-2)10(12)14-9(5)13-8(3)4/h8-9H,6-7H2,1-5H3
InChIKey
FJCDHUATLNPAFN-UHFFFAOYSA-N
Compound name
1-propan-2-ylsulfanylethyl N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.08362 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09090 154.4
[M+Na]+ 274.07284 157.9
[M-H]- 250.07634 154.2
[M+NH4]+ 269.11744 171.7
[M+K]+ 290.04678 153.7
[M+H-H2O]+ 234.08088 147.4
[M+HCOO]- 296.08182 156.9
[M+CH3COO]- 310.09747 201.6
[M+Na-2H]- 272.05829 149.4
[M]+ 251.08307 156.5
[M]- 251.08417 156.5
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.