CID 164517250

2-bromo-7-oxaspiro[3.5]nonane

Structural Information

Molecular Formula
C8H13BrO
SMILES
C1COCCC12CC(C2)Br
InChI
InChI=1S/C8H13BrO/c9-7-5-8(6-7)1-3-10-4-2-8/h7H,1-6H2
InChIKey
JMNVEJUBSPLSKO-UHFFFAOYSA-N
Compound name
2-bromo-7-oxaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.01498 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.02226 125.7
[M+Na]+ 227.00420 134.0
[M-H]- 203.00770 134.1
[M+NH4]+ 222.04880 143.2
[M+K]+ 242.97814 128.8
[M+H-H2O]+ 187.01224 123.2
[M+HCOO]- 249.01318 142.3
[M+CH3COO]- 263.02883 183.5
[M+Na-2H]- 224.98965 135.6
[M]+ 204.01443 148.1
[M]- 204.01553 148.1
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.