CID 13167259

Methyl 2-bromo-2,3-dimethylbutanoate

Structural Information

Molecular Formula
C7H13BrO2
SMILES
CC(C)C(C)(C(=O)OC)Br
InChI
InChI=1S/C7H13BrO2/c1-5(2)7(3,8)6(9)10-4/h5H,1-4H3
InChIKey
BRXXNIVJTZPLGJ-UHFFFAOYSA-N
Compound name
methyl 2-bromo-2,3-dimethylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.00989 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01717 139.3
[M+Na]+ 230.99911 149.9
[M-H]- 207.00261 142.6
[M+NH4]+ 226.04371 161.9
[M+K]+ 246.97305 141.0
[M+H-H2O]+ 191.00715 140.5
[M+HCOO]- 253.00809 157.6
[M+CH3COO]- 267.02374 185.0
[M+Na-2H]- 228.98456 145.1
[M]+ 208.00934 159.5
[M]- 208.01044 159.5
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

patents stripe