CID 45790918

Methyl 2-bromo-3-methoxy-3-methylbutanoate

Structural Information

Molecular Formula
C7H13BrO3
SMILES
CC(C)(C(C(=O)OC)Br)OC
InChI
InChI=1S/C7H13BrO3/c1-7(2,11-4)5(8)6(9)10-3/h5H,1-4H3
InChIKey
QIUYHXYZDBIUDY-UHFFFAOYSA-N
Compound name
methyl 2-bromo-3-methoxy-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.0048 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.01208 141.9
[M+Na]+ 246.99402 152.4
[M-H]- 222.99752 145.1
[M+NH4]+ 242.03862 163.8
[M+K]+ 262.96796 143.9
[M+H-H2O]+ 207.00206 142.8
[M+HCOO]- 269.00300 160.4
[M+CH3COO]- 283.01865 186.8
[M+Na-2H]- 244.97947 147.7
[M]+ 224.00425 163.4
[M]- 224.00535 163.4
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.