CID 170914620

Tert-butyl 1-(bromomethyl)cyclopropane-1-carboxylate

Structural Information

Molecular Formula
C9H15BrO2
SMILES
CC(C)(C)OC(=O)C1(CC1)CBr
InChI
InChI=1S/C9H15BrO2/c1-8(2,3)12-7(11)9(6-10)4-5-9/h4-6H2,1-3H3
InChIKey
DBBDUGVFIALUBO-UHFFFAOYSA-N
Compound name
tert-butyl 1-(bromomethyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.02554 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.032816 147.1
[M+Na]+ 257.014758 159.7
[M-H]- 233.018264 154.5
[M+NH4]+ 252.059363 166.1
[M+K]+ 272.988698 149.9
[M+H-H2O]+ 217.022800 148.4
[M+HCOO]- 279.023741 165.9
[M+CH3COO]- 293.039391 190.3
[M+Na-2H]- 255.000206 154.6
[M]+ 234.02499142 169.5
[M]- 234.02608858 169.5
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.