CID 5226961

201138-38-7

Structural Information

Molecular Formula
C7H10ClNO3
SMILES
CCOC(=O)C1C(ON=C1Cl)C
InChI
InChI=1S/C7H10ClNO3/c1-3-11-7(10)5-4(2)12-9-6(5)8/h4-5H,3H2,1-2H3
InChIKey
OJAVUYLEOCSCSU-UHFFFAOYSA-N
Compound name
ethyl 3-chloro-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.03493 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.04221 136.5
[M+Na]+ 214.02415 147.9
[M+NH4]+ 209.06875 143.8
[M+K]+ 229.99809 145.1
[M-H]- 190.02765 137.3
[M+Na-2H]- 212.00960 139.8
[M]+ 191.03438 138.4
[M]- 191.03548 138.4
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.