CID 75435

1-(2-chloroethyl)-2-imidazolidinone

Structural Information

Molecular Formula
C5H9ClN2O
SMILES
C1CN(C(=O)N1)CCCl
InChI
InChI=1S/C5H9ClN2O/c6-1-3-8-4-2-7-5(8)9/h1-4H2,(H,7,9)
InChIKey
YGSFFDHIYYOVHV-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

364
Patents

148.04034 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.04762 129.5
[M+Na]+ 171.02956 137.8
[M-H]- 147.03306 128.5
[M+NH4]+ 166.07416 149.9
[M+K]+ 187.00350 134.6
[M+H-H2O]+ 131.03760 123.5
[M+HCOO]- 193.03854 144.7
[M+CH3COO]- 207.05419 169.0
[M+Na-2H]- 169.01501 133.5
[M]+ 148.03979 127.5
[M]- 148.04089 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe