CID 121224952

Tert-butyl 3-(bromomethyl)bicyclo[1.1.1]pentane-1-carboxylate

Structural Information

Molecular Formula
C11H17BrO2
SMILES
CC(C)(C)OC(=O)C12CC(C1)(C2)CBr
InChI
InChI=1S/C11H17BrO2/c1-9(2,3)14-8(13)11-4-10(5-11,6-11)7-12/h4-7H2,1-3H3
InChIKey
FMJZFIHFODXOHW-UHFFFAOYSA-N
Compound name
tert-butyl 3-(bromomethyl)bicyclo[1.1.1]pentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0412 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.04848 154.1
[M+Na]+ 283.03042 160.2
[M-H]- 259.03392 159.2
[M+NH4]+ 278.07502 161.5
[M+K]+ 299.00436 159.3
[M+H-H2O]+ 243.03846 147.5
[M+HCOO]- 305.03940 164.2
[M+CH3COO]- 319.05505 217.1
[M+Na-2H]- 281.01587 161.7
[M]+ 260.04065 192.2
[M]- 260.04175 192.2
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.