CID 10080543

5-(chloromethyl)-3-methoxy-1,2-oxazole

Structural Information

Molecular Formula
C5H6ClNO2
SMILES
COC1=NOC(=C1)CCl
InChI
InChI=1S/C5H6ClNO2/c1-8-5-2-4(3-6)9-7-5/h2H,3H2,1H3
InChIKey
MHRNHYKQFZPBLT-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-methoxy-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

147.00871 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.01599 123.6
[M+Na]+ 169.99793 136.7
[M+NH4]+ 165.04253 132.3
[M+K]+ 185.97187 132.8
[M-H]- 146.00143 125.6
[M+Na-2H]- 167.98338 129.5
[M]+ 147.00816 126.2
[M]- 147.00926 126.2
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

patents stripe