CID 2806901

6601-05-4

Structural Information

Molecular Formula
C9H20N4S
SMILES
CCN(CC)CCN1CNC(=S)NC1
InChI
InChI=1S/C9H20N4S/c1-3-12(4-2)5-6-13-7-10-9(14)11-8-13/h3-8H2,1-2H3,(H2,10,11,14)
InChIKey
SFWYITXKQNSUBC-UHFFFAOYSA-N
Compound name
5-[2-(diethylamino)ethyl]-1,3,5-triazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

216.14087 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.14815 150.9
[M+Na]+ 239.13009 155.3
[M-H]- 215.13359 148.0
[M+NH4]+ 234.17469 165.0
[M+K]+ 255.10403 151.5
[M+H-H2O]+ 199.13813 143.0
[M+HCOO]- 261.13907 160.6
[M+CH3COO]- 275.15472 187.8
[M+Na-2H]- 237.11554 151.0
[M]+ 216.14032 146.7
[M]- 216.14142 146.7
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