CID 134691003

Tert-butyl 2-bromo-2-cyclopropylacetate

Structural Information

Molecular Formula
C9H15BrO2
SMILES
CC(C)(C)OC(=O)C(C1CC1)Br
InChI
InChI=1S/C9H15BrO2/c1-9(2,3)12-8(11)7(10)6-4-5-6/h6-7H,4-5H2,1-3H3
InChIKey
BDENKGSMYVURLT-UHFFFAOYSA-N
Compound name
tert-butyl 2-bromo-2-cyclopropylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.02554 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.032816 147.6
[M+Na]+ 257.014758 159.3
[M-H]- 233.018264 154.7
[M+NH4]+ 252.059363 164.8
[M+K]+ 272.988698 149.0
[M+H-H2O]+ 217.022800 147.5
[M+HCOO]- 279.023741 165.8
[M+CH3COO]- 293.039391 191.4
[M+Na-2H]- 255.000206 152.9
[M]+ 234.02499142 168.8
[M]- 234.02608858 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

No patent data available for this compound.