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
1
Annotation Hits

2
References

11
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

literature stripe

Patent stripe

patents stripe