CID 2090935

3-(2-chloroacetyl)-1-cyclopropylurea

Structural Information

Molecular Formula
C6H9ClN2O2
SMILES
C1CC1NC(=O)NC(=O)CCl
InChI
InChI=1S/C6H9ClN2O2/c7-3-5(10)9-6(11)8-4-1-2-4/h4H,1-3H2,(H2,8,9,10,11)
InChIKey
XWUSXXUJONYTSB-UHFFFAOYSA-N
Compound name
2-chloro-N-(cyclopropylcarbamoyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.03525 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.04253 132.8
[M+Na]+ 199.02447 141.1
[M-H]- 175.02797 137.4
[M+NH4]+ 194.06907 148.4
[M+K]+ 214.99841 137.6
[M+H-H2O]+ 159.03251 127.8
[M+HCOO]- 221.03345 153.6
[M+CH3COO]- 235.04910 184.3
[M+Na-2H]- 197.00992 138.2
[M]+ 176.03470 135.6
[M]- 176.03580 135.6
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.