CID 10632757

177553-35-4

Structural Information

Molecular Formula
C7H9ClN2O4
SMILES
COC(=O)[C@@H]1CN(C(=O)N1)C(=O)CCl
InChI
InChI=1S/C7H9ClN2O4/c1-14-6(12)4-3-10(5(11)2-8)7(13)9-4/h4H,2-3H2,1H3,(H,9,13)/t4-/m0/s1
InChIKey
IWFLJOUTFMQRAP-BYPYZUCNSA-N
Compound name
methyl (4S)-1-(2-chloroacetyl)-2-oxoimidazolidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.02509 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.03237 143.9
[M+Na]+ 243.01431 152.4
[M+NH4]+ 238.05891 148.8
[M+K]+ 258.98825 151.3
[M-H]- 219.01781 140.6
[M+Na-2H]- 240.99976 144.7
[M]+ 220.02454 143.7
[M]- 220.02564 143.7
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.