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 124.0
[M+Na]+ 169.99793 134.6
[M-H]- 146.00143 127.2
[M+NH4]+ 165.04253 145.6
[M+K]+ 185.97187 133.8
[M+H-H2O]+ 130.00597 119.0
[M+HCOO]- 192.00691 144.0
[M+CH3COO]- 206.02256 171.0
[M+Na-2H]- 167.98338 131.6
[M]+ 147.00816 129.1
[M]- 147.00926 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