CID 11229265

41730-71-6

Structural Information

Molecular Formula
C6H7ClN2O3
SMILES
CC(=O)N1CCN(C1=O)C(=O)Cl
InChI
InChI=1S/C6H7ClN2O3/c1-4(10)8-2-3-9(5(7)11)6(8)12/h2-3H2,1H3
InChIKey
CCRQBNJTBJRTJD-UHFFFAOYSA-N
Compound name
3-acetyl-2-oxoimidazolidine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

190.01453 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.021806 135.4
[M+Na]+ 213.003748 144.8
[M-H]- 189.007254 136.6
[M+NH4]+ 208.048353 155.0
[M+K]+ 228.977688 142.9
[M+H-H2O]+ 173.011790 129.9
[M+HCOO]- 235.012731 150.8
[M+CH3COO]- 249.028381 178.5
[M+Na-2H]- 210.989196 136.7
[M]+ 190.01398142 136.3
[M]- 190.01507858 136.3
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

patents stripe