CID 72891

1,3-bis(2-hydroxyethyl)imidazolidine-2-thione

Structural Information

Molecular Formula
C7H14N2O2S
SMILES
C1CN(C(=S)N1CCO)CCO
InChI
InChI=1S/C7H14N2O2S/c10-5-3-8-1-2-9(4-6-11)7(8)12/h10-11H,1-6H2
InChIKey
QVHIWXDSSWDUPR-UHFFFAOYSA-N
Compound name
1,3-bis(2-hydroxyethyl)imidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

190.0776 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.084876 141.7
[M+Na]+ 213.066818 149.3
[M-H]- 189.070324 139.9
[M+NH4]+ 208.111423 160.0
[M+K]+ 229.040758 146.2
[M+H-H2O]+ 173.074860 135.8
[M+HCOO]- 235.075801 154.6
[M+CH3COO]- 249.091451 175.6
[M+Na-2H]- 211.052266 140.8
[M]+ 190.07705142 141.3
[M]- 190.07814858 141.3
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

No patent data available for this compound.