CID 14063313

Methyl 3-bromo-2-methoxy-2-methylpropanoate

Structural Information

Molecular Formula
C6H11BrO3
SMILES
CC(CBr)(C(=O)OC)OC
InChI
InChI=1S/C6H11BrO3/c1-6(4-7,10-3)5(8)9-2/h4H2,1-3H3
InChIKey
FPRKSKBRKHOZCZ-UHFFFAOYSA-N
Compound name
methyl 3-bromo-2-methoxy-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.98917 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.99645 137.2
[M+Na]+ 232.97839 148.4
[M-H]- 208.98189 140.5
[M+NH4]+ 228.02299 159.7
[M+K]+ 248.95233 139.7
[M+H-H2O]+ 192.98643 138.2
[M+HCOO]- 254.98737 156.9
[M+CH3COO]- 269.00302 183.2
[M+Na-2H]- 230.96384 144.8
[M]+ 209.98862 159.0
[M]- 209.98972 159.0
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.