CID 165588801

2731011-24-6

Structural Information

Molecular Formula
C7H8ClNO3
SMILES
COC(=O)C1=NOC(=C1)CCCl
InChI
InChI=1S/C7H8ClNO3/c1-11-7(10)6-4-5(2-3-8)12-9-6/h4H,2-3H2,1H3
InChIKey
YCTJJKRUSVDMJW-UHFFFAOYSA-N
Compound name
methyl 5-(2-chloroethyl)-1,2-oxazole-3-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 145.4
[M-H]- 188.01199 138.7
[M+NH4]+ 207.05309 155.4
[M+K]+ 227.98243 144.4
[M+H-H2O]+ 172.01653 130.3
[M+HCOO]- 234.01747 154.5
[M+CH3COO]- 248.03312 178.3
[M+Na-2H]- 209.99394 141.0
[M]+ 189.01872 141.6
[M]- 189.01982 141.6
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.