CID 121514185

4-(2-chloroethyl)-1,2-oxazole

Structural Information

Molecular Formula
C5H6ClNO
SMILES
C1=C(C=NO1)CCCl
InChI
InChI=1S/C5H6ClNO/c6-2-1-5-3-7-8-4-5/h3-4H,1-2H2
InChIKey
KYHPVMNMLXQGEO-UHFFFAOYSA-N
Compound name
4-(2-chloroethyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.0138 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.02108 121.0
[M+Na]+ 154.00302 134.2
[M+NH4]+ 149.04762 130.3
[M+K]+ 169.97696 129.6
[M-H]- 130.00652 123.5
[M+Na-2H]- 151.98847 127.7
[M]+ 131.01325 123.8
[M]- 131.01435 123.8
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.