CID 3032956

Brn 2362898

Structural Information

Molecular Formula
C9H19N3S2
SMILES
CNC(=S)C(CCN(C)C)C(=S)NC
InChI
InChI=1S/C9H19N3S2/c1-10-8(13)7(9(14)11-2)5-6-12(3)4/h7H,5-6H2,1-4H3,(H,10,13)(H,11,14)
InChIKey
RXLSOFRQNQORDN-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-N,N'-dimethylpropanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.10204 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.10932 153.7
[M+Na]+ 256.09126 156.6
[M-H]- 232.09476 154.1
[M+NH4]+ 251.13586 171.3
[M+K]+ 272.06520 153.8
[M+H-H2O]+ 216.09930 146.2
[M+HCOO]- 278.10024 164.8
[M+CH3COO]- 292.11589 202.0
[M+Na-2H]- 254.07671 150.9
[M]+ 233.10149 153.8
[M]- 233.10259 153.8
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.