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

24
Patents

236.04118 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.048456 148.6
[M+Na]+ 259.030398 158.3
[M-H]- 235.033904 151.7
[M+NH4]+ 254.075003 170.2
[M+K]+ 275.004338 149.3
[M+H-H2O]+ 219.038440 149.5
[M+HCOO]- 281.039381 165.3
[M+CH3COO]- 295.055031 190.8
[M+Na-2H]- 257.015846 152.2
[M]+ 236.04063142 168.8
[M]- 236.04172858 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