CID 11105661

75989-22-9

Structural Information

Molecular Formula
C6H8ClNO2
SMILES
CC1=C(C(=NO1)OC)CCl
InChI
InChI=1S/C6H8ClNO2/c1-4-5(3-7)6(9-2)8-10-4/h3H2,1-2H3
InChIKey
AIAXEKOVIPQUEY-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-3-methoxy-5-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.02435 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.031626 128.3
[M+Na]+ 184.013568 139.5
[M-H]- 160.017074 131.8
[M+NH4]+ 179.058173 149.7
[M+K]+ 199.987508 138.4
[M+H-H2O]+ 144.021610 123.5
[M+HCOO]- 206.022551 148.1
[M+CH3COO]- 220.038201 175.1
[M+Na-2H]- 181.999016 134.8
[M]+ 161.02380142 134.2
[M]- 161.02489858 134.2
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.