CID 137952331

4-(chloromethyl)-3-(methoxymethyl)-1,2-oxazole

Structural Information

Molecular Formula
C6H8ClNO2
SMILES
COCC1=NOC=C1CCl
InChI
InChI=1S/C6H8ClNO2/c1-9-4-6-5(2-7)3-10-8-6/h3H,2,4H2,1H3
InChIKey
BZDFVUXBAPMFSB-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-3-(methoxymethyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.02435 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.03163 128.8
[M+Na]+ 184.01357 139.0
[M-H]- 160.01707 131.8
[M+NH4]+ 179.05817 149.8
[M+K]+ 199.98751 137.9
[M+H-H2O]+ 144.02161 123.6
[M+HCOO]- 206.02255 148.5
[M+CH3COO]- 220.03820 174.0
[M+Na-2H]- 181.99902 135.8
[M]+ 161.02380 134.3
[M]- 161.02490 134.3
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

No patent data available for this compound.