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 136.9
[M+Na]+ 214.02415 146.6
[M-H]- 190.02765 140.1
[M+NH4]+ 209.06875 156.9
[M+K]+ 229.99809 145.8
[M+H-H2O]+ 174.03219 132.0
[M+HCOO]- 236.03313 154.4
[M+CH3COO]- 250.04878 179.8
[M+Na-2H]- 212.00960 140.7
[M]+ 191.03438 141.9
[M]- 191.03548 141.9
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.