CID 154577075

2168147-44-0

Structural Information

Molecular Formula
C9H15BrO
SMILES
C1CCC(C1)(CC2CO2)CBr
InChI
InChI=1S/C9H15BrO/c10-7-9(3-1-2-4-9)5-8-6-11-8/h8H,1-7H2
InChIKey
RSAJAKVXXIOIKY-UHFFFAOYSA-N
Compound name
2-[[1-(bromomethyl)cyclopentyl]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.03062 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03790 144.1
[M+Na]+ 241.01984 155.7
[M-H]- 217.02334 154.2
[M+NH4]+ 236.06444 163.7
[M+K]+ 256.99378 147.3
[M+H-H2O]+ 201.02788 144.9
[M+HCOO]- 263.02882 163.4
[M+CH3COO]- 277.04447 186.1
[M+Na-2H]- 239.00529 151.3
[M]+ 218.03007 163.3
[M]- 218.03117 163.3
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.