CID 165766528

2758006-20-9

Structural Information

Molecular Formula
C9H15BrO
SMILES
C1CCOC2(C1)CC(C2)CBr
InChI
InChI=1S/C9H15BrO/c10-7-8-5-9(6-8)3-1-2-4-11-9/h8H,1-7H2
InChIKey
FRKQRIWKMGEQBB-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-5-oxaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.03062 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03790 130.4
[M+Na]+ 241.01984 138.3
[M-H]- 217.02334 138.5
[M+NH4]+ 236.06444 147.4
[M+K]+ 256.99378 132.8
[M+H-H2O]+ 201.02788 127.7
[M+HCOO]- 263.02882 146.6
[M+CH3COO]- 277.04447 186.3
[M+Na-2H]- 239.00529 139.7
[M]+ 218.03007 153.0
[M]- 218.03117 153.0
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.