CID 13124118

Tert-butyl 2-bromobutanoate

Structural Information

Molecular Formula
C8H15BrO2
SMILES
CCC(C(=O)OC(C)(C)C)Br
InChI
InChI=1S/C8H15BrO2/c1-5-6(9)7(10)11-8(2,3)4/h6H,5H2,1-4H3
InChIKey
RIUJWUWLGXBICR-UHFFFAOYSA-N
Compound name
tert-butyl 2-bromobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

378
Patents

222.02554 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03282 141.4
[M+Na]+ 245.01476 141.8
[M+NH4]+ 240.05936 145.0
[M+K]+ 260.98870 143.9
[M-H]- 221.01826 138.6
[M+Na-2H]- 243.00021 141.5
[M]+ 222.02499 139.4
[M]- 222.02609 139.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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