CID 13492090

5-chloro-3,4-dimethyl-1,2-oxazole

Structural Information

Molecular Formula
C5H6ClNO
SMILES
CC1=C(ON=C1C)Cl
InChI
InChI=1S/C5H6ClNO/c1-3-4(2)7-8-5(3)6/h1-2H3
InChIKey
WSOOOLAXSNYIRU-UHFFFAOYSA-N
Compound name
5-chloro-3,4-dimethyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

131.0138 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.02108 120.2
[M+Na]+ 154.00302 134.2
[M+NH4]+ 149.04762 129.5
[M+K]+ 169.97696 130.0
[M-H]- 130.00652 122.9
[M+Na-2H]- 151.98847 126.5
[M]+ 131.01325 123.3
[M]- 131.01435 123.3
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

patents stripe