CID 97915

4,5-dihydroxyimidazolidin-2-one

Structural Information

Molecular Formula
C3H6N2O3
SMILES
C1(C(NC(=O)N1)O)O
InChI
InChI=1S/C3H6N2O3/c6-1-2(7)5-3(8)4-1/h1-2,6-7H,(H2,4,5,8)
InChIKey
NNTWKXKLHMTGBU-UHFFFAOYSA-N
Compound name
4,5-dihydroxyimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

2488
Patents

118.03784 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.04512 122.3
[M+Na]+ 141.02706 130.3
[M-H]- 117.03056 118.1
[M+NH4]+ 136.07166 141.1
[M+K]+ 157.00100 127.7
[M+H-H2O]+ 101.03510 117.0
[M+HCOO]- 163.03604 138.7
[M+CH3COO]- 177.05169 156.9
[M+Na-2H]- 139.01251 125.6
[M]+ 118.03729 115.6
[M]- 118.03839 115.6
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