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

41
Patents

190.01453 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.02181 135.4
[M+Na]+ 213.00375 144.8
[M-H]- 189.00725 136.6
[M+NH4]+ 208.04835 155.0
[M+K]+ 228.97769 142.9
[M+H-H2O]+ 173.01179 129.9
[M+HCOO]- 235.01273 150.8
[M+CH3COO]- 249.02838 178.5
[M+Na-2H]- 210.98920 136.7
[M]+ 190.01398 136.3
[M]- 190.01508 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