CID 2771893

4,5-dihydroxy-imidazolidine-2-thione

Structural Information

Molecular Formula
C3H6N2O2S
SMILES
C1(C(NC(=S)N1)O)O
InChI
InChI=1S/C3H6N2O2S/c6-1-2(7)5-3(8)4-1/h1-2,6-7H,(H2,4,5,8)
InChIKey
HVXHULQXOUOVJM-UHFFFAOYSA-N
Compound name
4,5-dihydroxyimidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

64
Patents

134.015 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02228 126.0
[M+Na]+ 157.00422 134.5
[M-H]- 133.00772 122.1
[M+NH4]+ 152.04882 145.0
[M+K]+ 172.97816 130.4
[M+H-H2O]+ 117.01226 121.3
[M+HCOO]- 179.01320 137.1
[M+CH3COO]- 193.02885 158.7
[M+Na-2H]- 154.98967 126.0
[M]+ 134.01445 120.4
[M]- 134.01555 120.4
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