CID 45081509

68471-52-3

Structural Information

Molecular Formula
C5H5ClN2O3
SMILES
CN1C(=O)CN(C1=O)C(=O)Cl
InChI
InChI=1S/C5H5ClN2O3/c1-7-3(9)2-8(4(6)10)5(7)11/h2H2,1H3
InChIKey
VBYVDRYZQYETQS-UHFFFAOYSA-N
Compound name
3-methyl-2,4-dioxoimidazolidine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.99887 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.00615 130.2
[M+Na]+ 198.98809 141.2
[M-H]- 174.99159 131.8
[M+NH4]+ 194.03269 150.7
[M+K]+ 214.96203 139.0
[M+H-H2O]+ 158.99613 125.1
[M+HCOO]- 220.99707 146.9
[M+CH3COO]- 235.01272 176.5
[M+Na-2H]- 196.97354 132.5
[M]+ 175.99832 131.8
[M]- 175.99942 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.