CID 182347

5-sec-butylhydantoin

Structural Information

Molecular Formula
C7H12N2O2
SMILES
CCC(C)C1C(=O)NC(=O)N1
InChI
InChI=1S/C7H12N2O2/c1-3-4(2)5-6(10)9-7(11)8-5/h4-5H,3H2,1-2H3,(H2,8,9,10,11)
InChIKey
ZUYPRBNQYTZYIK-UHFFFAOYSA-N
Compound name
5-butan-2-ylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

106
Patents

156.08987 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.097146 134.7
[M+Na]+ 179.079088 142.1
[M-H]- 155.082594 132.9
[M+NH4]+ 174.123693 153.5
[M+K]+ 195.053028 139.7
[M+H-H2O]+ 139.087130 128.8
[M+HCOO]- 201.088071 151.9
[M+CH3COO]- 215.103721 171.7
[M+Na-2H]- 177.064536 135.9
[M]+ 156.08932142 130.5
[M]- 156.09041858 130.5
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