CID 71757218

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

Structural Information

Molecular Formula
C6H8BrNO3
SMILES
COC(=O)C1=NOC(C1)CBr
InChI
InChI=1S/C6H8BrNO3/c1-10-6(9)5-2-4(3-7)11-8-5/h4H,2-3H2,1H3
InChIKey
RQMDBXDIAPHXMC-UHFFFAOYSA-N
Compound name
methyl 5-(bromomethyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.96877 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.97605 138.4
[M+Na]+ 243.95799 150.2
[M-H]- 219.96149 144.1
[M+NH4]+ 239.00259 159.7
[M+K]+ 259.93193 142.4
[M+H-H2O]+ 203.96603 138.4
[M+HCOO]- 265.96697 158.5
[M+CH3COO]- 279.98262 182.4
[M+Na-2H]- 241.94344 144.9
[M]+ 220.96822 159.3
[M]- 220.96932 159.3
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.