CID 13821159

Tert-butyl 2-bromo-3-methylbutanoate

Structural Information

Molecular Formula
C9H17BrO2
SMILES
CC(C)C(C(=O)OC(C)(C)C)Br
InChI
InChI=1S/C9H17BrO2/c1-6(2)7(10)8(11)12-9(3,4)5/h6-7H,1-5H3
InChIKey
KNIZFFZJAVQDNV-UHFFFAOYSA-N
Compound name
tert-butyl 2-bromo-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

236.04118 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.04846 148.6
[M+Na]+ 259.03040 158.3
[M-H]- 235.03390 151.7
[M+NH4]+ 254.07500 170.2
[M+K]+ 275.00434 149.3
[M+H-H2O]+ 219.03844 149.5
[M+HCOO]- 281.03938 165.3
[M+CH3COO]- 295.05503 190.8
[M+Na-2H]- 257.01585 152.2
[M]+ 236.04063 168.8
[M]- 236.04173 168.8
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