CID 121553200

3-(2-chloroethyl)-5-methylimidazolidine-2,4-dione

Structural Information

Molecular Formula
C6H9ClN2O2
SMILES
CC1C(=O)N(C(=O)N1)CCCl
InChI
InChI=1S/C6H9ClN2O2/c1-4-5(10)9(3-2-7)6(11)8-4/h4H,2-3H2,1H3,(H,8,11)
InChIKey
CPTYMOQYIFLRJL-UHFFFAOYSA-N
Compound name
3-(2-chloroethyl)-5-methylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.03525 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.04253 134.8
[M+Na]+ 199.02447 144.8
[M-H]- 175.02797 134.5
[M+NH4]+ 194.06907 154.7
[M+K]+ 214.99841 141.1
[M+H-H2O]+ 159.03251 129.4
[M+HCOO]- 221.03345 150.1
[M+CH3COO]- 235.04910 175.5
[M+Na-2H]- 197.00992 137.0
[M]+ 176.03470 134.7
[M]- 176.03580 134.7
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.