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]+ 191.05818 136.6
[M+Na]+ 213.04012 144.3
[M-H]- 189.04362 141.1
[M+NH4]+ 208.08472 151.6
[M+K]+ 229.01406 140.9
[M+H-H2O]+ 173.04816 131.6
[M+HCOO]- 235.04910 156.2
[M+CH3COO]- 249.06475 188.0
[M+Na-2H]- 211.02557 140.3
[M]+ 190.05035 139.3
[M]- 190.05145 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.