CID 118506

1-butylimidazolidine-2,4-dione

Structural Information

Molecular Formula
C7H12N2O2
SMILES
CCCCN1CC(=O)NC1=O
InChI
InChI=1S/C7H12N2O2/c1-2-3-4-9-5-6(10)8-7(9)11/h2-5H2,1H3,(H,8,10,11)
InChIKey
NOHNSECEKFOVGT-UHFFFAOYSA-N
Compound name
1-butylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
Patents

156.08987 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.097146 133.4
[M+Na]+ 179.079088 141.5
[M-H]- 155.082594 132.8
[M+NH4]+ 174.123693 153.0
[M+K]+ 195.053028 139.5
[M+H-H2O]+ 139.087130 127.1
[M+HCOO]- 201.088071 153.1
[M+CH3COO]- 215.103721 173.4
[M+Na-2H]- 177.064536 136.3
[M]+ 156.08932142 131.8
[M]- 156.09041858 131.8
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