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

2
Patents

208.00989 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.017166 139.3
[M+Na]+ 230.999108 149.9
[M-H]- 207.002614 142.6
[M+NH4]+ 226.043713 161.9
[M+K]+ 246.973048 141.0
[M+H-H2O]+ 191.007150 140.5
[M+HCOO]- 253.008091 157.6
[M+CH3COO]- 267.023741 185.0
[M+Na-2H]- 228.984556 145.1
[M]+ 208.00934142 159.5
[M]- 208.01043858 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