CID 13424471

Tert-butyl 3-bromo-2-oxopropanoate

Structural Information

Molecular Formula
C7H11BrO3
SMILES
CC(C)(C)OC(=O)C(=O)CBr
InChI
InChI=1S/C7H11BrO3/c1-7(2,3)11-6(10)5(9)4-8/h4H2,1-3H3
InChIKey
FLTKVDFSOLXYOD-UHFFFAOYSA-N
Compound name
tert-butyl 3-bromo-2-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

221.98917 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.99645 140.1
[M+Na]+ 244.97839 151.0
[M-H]- 220.98189 143.4
[M+NH4]+ 240.02299 162.1
[M+K]+ 260.95233 141.9
[M+H-H2O]+ 204.98643 141.1
[M+HCOO]- 266.98737 158.8
[M+CH3COO]- 281.00302 185.3
[M+Na-2H]- 242.96384 146.0
[M]+ 221.98862 160.9
[M]- 221.98972 160.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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