CID 165588932

3-(2-bromoethyl)spiro[3.3]heptan-1-one

Structural Information

Molecular Formula
C9H13BrO
SMILES
C1CC2(C1)C(CC2=O)CCBr
InChI
InChI=1S/C9H13BrO/c10-5-2-7-6-8(11)9(7)3-1-4-9/h7H,1-6H2
InChIKey
FMGXKKCWEYXHJB-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)spiro[3.3]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.01498 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02226 119.0
[M+Na]+ 239.00420 127.5
[M-H]- 215.00770 126.9
[M+NH4]+ 234.04880 130.8
[M+K]+ 254.97814 123.4
[M+H-H2O]+ 199.01224 113.1
[M+HCOO]- 261.01318 136.3
[M+CH3COO]- 275.02883 196.7
[M+Na-2H]- 236.98965 127.3
[M]+ 216.01443 149.8
[M]- 216.01553 149.8
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.