CID 2367276

1-(2-chloroacetyl)-3-(prop-2-en-1-yl)urea

Structural Information

Molecular Formula
C6H9ClN2O2
SMILES
C=CCNC(=O)NC(=O)CCl
InChI
InChI=1S/C6H9ClN2O2/c1-2-3-8-6(11)9-5(10)4-7/h2H,1,3-4H2,(H2,8,9,10,11)
InChIKey
NSLCBCXTRMVMJA-UHFFFAOYSA-N
Compound name
2-chloro-N-(prop-2-enylcarbamoyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.03525 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.04253 136.6
[M+Na]+ 199.02447 143.4
[M-H]- 175.02797 136.9
[M+NH4]+ 194.06907 157.0
[M+K]+ 214.99841 140.9
[M+H-H2O]+ 159.03251 132.3
[M+HCOO]- 221.03345 157.1
[M+CH3COO]- 235.04910 181.6
[M+Na-2H]- 197.00992 141.0
[M]+ 176.03470 137.3
[M]- 176.03580 137.3
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.