CID 731344

Tetrahydro-5-(2-hydroxyethyl)-1,3,5-triazine-2(1h)-thione

Structural Information

Molecular Formula
C5H11N3OS
SMILES
C1NC(=S)NCN1CCO
InChI
InChI=1S/C5H11N3OS/c9-2-1-8-3-6-5(10)7-4-8/h9H,1-4H2,(H2,6,7,10)
InChIKey
NATVVRFRJHJKDJ-UHFFFAOYSA-N
Compound name
5-(2-hydroxyethyl)-1,3,5-triazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

33
Patents

161.06229 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06957 134.8
[M+Na]+ 184.05151 141.1
[M-H]- 160.05501 129.7
[M+NH4]+ 179.09611 149.9
[M+K]+ 200.02545 136.6
[M+H-H2O]+ 144.05955 128.3
[M+HCOO]- 206.06049 143.1
[M+CH3COO]- 220.07614 167.1
[M+Na-2H]- 182.03696 136.3
[M]+ 161.06174 128.2
[M]- 161.06284 128.2
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