CID 95514

5458-06-0

Structural Information

Molecular Formula
C7H12N2O3
SMILES
C(CCO)CC1C(=O)NC(=O)N1
InChI
InChI=1S/C7H12N2O3/c10-4-2-1-3-5-6(11)9-7(12)8-5/h5,10H,1-4H2,(H2,8,9,11,12)
InChIKey
SQKDMDCPJJTKKB-UHFFFAOYSA-N
Compound name
5-(4-hydroxybutyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

21
Patents

172.0848 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.09208 137.9
[M+Na]+ 195.07402 144.9
[M-H]- 171.07752 134.5
[M+NH4]+ 190.11862 155.2
[M+K]+ 211.04796 141.6
[M+H-H2O]+ 155.08206 131.7
[M+HCOO]- 217.08300 154.7
[M+CH3COO]- 231.09865 170.6
[M+Na-2H]- 193.05947 139.8
[M]+ 172.08425 133.9
[M]- 172.08535 133.9
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.