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]+ 148.015986 124.0
[M+Na]+ 169.997928 134.6
[M-H]- 146.001434 127.2
[M+NH4]+ 165.042533 145.6
[M+K]+ 185.971868 133.8
[M+H-H2O]+ 130.005970 119.0
[M+HCOO]- 192.006911 144.0
[M+CH3COO]- 206.022561 171.0
[M+Na-2H]- 167.983376 131.6
[M]+ 147.00816142 129.1
[M]- 147.00925858 129.1
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