CID 73539

4,5-dihydroxy-1,3-dimethylimidazolidin-2-one

Structural Information

Molecular Formula
C5H10N2O3
SMILES
CN1C(C(N(C1=O)C)O)O
InChI
InChI=1S/C5H10N2O3/c1-6-3(8)4(9)7(2)5(6)10/h3-4,8-9H,1-2H3
InChIKey
LGJMYGMNWHYGCB-UHFFFAOYSA-N
Compound name
4,5-dihydroxy-1,3-dimethylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

702
Patents

146.06914 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.07642 128.4
[M+Na]+ 169.05836 138.4
[M-H]- 145.06186 127.5
[M+NH4]+ 164.10296 148.3
[M+K]+ 185.03230 137.0
[M+H-H2O]+ 129.06640 123.2
[M+HCOO]- 191.06734 147.2
[M+CH3COO]- 205.08299 170.3
[M+Na-2H]- 167.04381 130.6
[M]+ 146.06859 127.1
[M]- 146.06969 127.1
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