CID 16227127

3-(2-chloropropanoyl)-1-cyclopropylurea

Structural Information

Molecular Formula
C7H11ClN2O2
SMILES
CC(C(=O)NC(=O)NC1CC1)Cl
InChI
InChI=1S/C7H11ClN2O2/c1-4(8)6(11)10-7(12)9-5-2-3-5/h4-5H,2-3H2,1H3,(H2,9,10,11,12)
InChIKey
XDRQYUQWMPAQGS-UHFFFAOYSA-N
Compound name
2-chloro-N-(cyclopropylcarbamoyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.0509 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.058176 136.6
[M+Na]+ 213.040118 144.3
[M-H]- 189.043624 141.1
[M+NH4]+ 208.084723 151.6
[M+K]+ 229.014058 140.9
[M+H-H2O]+ 173.048160 131.6
[M+HCOO]- 235.049101 156.2
[M+CH3COO]- 249.064751 188.0
[M+Na-2H]- 211.025566 140.3
[M]+ 190.05035142 139.3
[M]- 190.05144858 139.3
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

No patent data available for this compound.