CID 45791801

Methyl 5-(chloromethyl)-4,5-dihydro-1,2-oxazole-3-carboxylate

Structural Information

Molecular Formula
C6H8ClNO3
SMILES
COC(=O)C1=NOC(C1)CCl
InChI
InChI=1S/C6H8ClNO3/c1-10-6(9)5-2-4(3-7)11-8-5/h4H,2-3H2,1H3
InChIKey
CCOQWOGKHSSSKE-UHFFFAOYSA-N
Compound name
methyl 5-(chloromethyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.01927 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.02655 132.7
[M+Na]+ 200.00849 141.9
[M-H]- 176.01199 135.7
[M+NH4]+ 195.05309 152.9
[M+K]+ 215.98243 141.4
[M+H-H2O]+ 160.01653 127.7
[M+HCOO]- 222.01747 150.5
[M+CH3COO]- 236.03312 175.7
[M+Na-2H]- 197.99394 137.7
[M]+ 177.01872 136.9
[M]- 177.01982 136.9
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.