CID 137942767

2365418-37-5

Structural Information

Molecular Formula
C7H10BrNO3
SMILES
CC1(CC(=NO1)C(=O)OC)CBr
InChI
InChI=1S/C7H10BrNO3/c1-7(4-8)3-5(9-12-7)6(10)11-2/h3-4H2,1-2H3
InChIKey
AYDGCHMGBJFRPT-UHFFFAOYSA-N
Compound name
methyl 5-(bromomethyl)-5-methyl-4H-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.9844 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.99168 139.8
[M+Na]+ 257.97362 152.0
[M-H]- 233.97712 145.8
[M+NH4]+ 253.01822 162.5
[M+K]+ 273.94756 144.2
[M+H-H2O]+ 217.98166 140.9
[M+HCOO]- 279.98260 159.7
[M+CH3COO]- 293.99825 184.8
[M+Na-2H]- 255.95907 147.2
[M]+ 234.98385 161.5
[M]- 234.98495 161.5
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.