CID 165991570

2-bromo-1-{spiro[2.5]octan-6-yl}ethan-1-one

Structural Information

Molecular Formula
C10H15BrO
SMILES
C1CC2(CCC1C(=O)CBr)CC2
InChI
InChI=1S/C10H15BrO/c11-7-9(12)8-1-3-10(4-2-8)5-6-10/h8H,1-7H2
InChIKey
ZPQNSODAALHTKW-UHFFFAOYSA-N
Compound name
2-bromo-1-spiro[2.5]octan-6-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.03062 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.03790 148.0
[M+Na]+ 253.01984 158.7
[M-H]- 229.02334 156.5
[M+NH4]+ 248.06444 167.0
[M+K]+ 268.99378 148.7
[M+H-H2O]+ 213.02788 148.7
[M+HCOO]- 275.02882 165.2
[M+CH3COO]- 289.04447 189.3
[M+Na-2H]- 251.00529 154.3
[M]+ 230.03007 164.5
[M]- 230.03117 164.5
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.