CID 45792505

(4-chlorobutanoyl)urea

Structural Information

Molecular Formula
C5H9ClN2O2
SMILES
C(CC(=O)NC(=O)N)CCl
InChI
InChI=1S/C5H9ClN2O2/c6-3-1-2-4(9)8-5(7)10/h1-3H2,(H3,7,8,9,10)
InChIKey
DVTZZCQFICRLAO-UHFFFAOYSA-N
Compound name
N-carbamoyl-4-chlorobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.03525 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04253 133.3
[M+Na]+ 187.02447 140.2
[M-H]- 163.02797 133.2
[M+NH4]+ 182.06907 153.9
[M+K]+ 202.99841 138.2
[M+H-H2O]+ 147.03251 129.1
[M+HCOO]- 209.03345 153.3
[M+CH3COO]- 223.04910 179.6
[M+Na-2H]- 185.00992 137.1
[M]+ 164.03470 133.4
[M]- 164.03580 133.4
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.