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]+ 219.037896 144.1
[M+Na]+ 241.019838 155.7
[M-H]- 217.023344 154.2
[M+NH4]+ 236.064443 163.7
[M+K]+ 256.993778 147.3
[M+H-H2O]+ 201.027880 144.9
[M+HCOO]- 263.028821 163.4
[M+CH3COO]- 277.044471 186.1
[M+Na-2H]- 239.005286 151.3
[M]+ 218.03007142 163.3
[M]- 218.03116858 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.