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]+ 190.02655 135.5
[M+Na]+ 212.00849 145.1
[M-H]- 188.01199 138.9
[M+NH4]+ 207.05309 155.3
[M+K]+ 227.98243 144.6
[M+H-H2O]+ 172.01653 130.4
[M+HCOO]- 234.01747 153.5
[M+CH3COO]- 248.03312 179.2
[M+Na-2H]- 209.99394 139.8
[M]+ 189.01872 141.0
[M]- 189.01982 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.