CID 131529915

Methyl 2-(1-chloroethyl)-1,3-oxazole-4-carboxylate

Structural Information

Molecular Formula
C7H8ClNO3
SMILES
CC(C1=NC(=CO1)C(=O)OC)Cl
InChI
InChI=1S/C7H8ClNO3/c1-4(8)6-9-5(3-12-6)7(10)11-2/h3-4H,1-2H3
InChIKey
BEMAPYWURFOIHP-UHFFFAOYSA-N
Compound name
methyl 2-(1-chloroethyl)-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.01927 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.026546 135.5
[M+Na]+ 212.008488 145.1
[M-H]- 188.011994 138.9
[M+NH4]+ 207.053093 155.3
[M+K]+ 227.982428 144.6
[M+H-H2O]+ 172.016530 130.4
[M+HCOO]- 234.017471 153.5
[M+CH3COO]- 248.033121 179.2
[M+Na-2H]- 209.993936 139.8
[M]+ 189.01872142 141.0
[M]- 189.01981858 141.0
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.