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]+ 219.037896 130.4
[M+Na]+ 241.019838 138.3
[M-H]- 217.023344 138.5
[M+NH4]+ 236.064443 147.4
[M+K]+ 256.993778 132.8
[M+H-H2O]+ 201.027880 127.7
[M+HCOO]- 263.028821 146.6
[M+CH3COO]- 277.044471 186.3
[M+Na-2H]- 239.005286 139.7
[M]+ 218.03007142 153.0
[M]- 218.03116858 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.