CID 3034896

68631-13-0

Structural Information

Molecular Formula
C6H13N3O2S
SMILES
C1NC(=S)N(CN1CCO)CO
InChI
InChI=1S/C6H13N3O2S/c10-2-1-8-3-7-6(12)9(4-8)5-11/h10-11H,1-5H2,(H,7,12)
InChIKey
CRVHHINBIZCGLC-UHFFFAOYSA-N
Compound name
5-(2-hydroxyethyl)-1-(hydroxymethyl)-1,3,5-triazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.07285 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.08013 142.1
[M+Na]+ 214.06207 148.6
[M-H]- 190.06557 137.1
[M+NH4]+ 209.10667 156.2
[M+K]+ 230.03601 144.3
[M+H-H2O]+ 174.07011 135.6
[M+HCOO]- 236.07105 150.2
[M+CH3COO]- 250.08670 173.4
[M+Na-2H]- 212.04752 142.5
[M]+ 191.07230 137.7
[M]- 191.07340 137.7
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.