CID 165589197

3-(bromomethyl)spiro[3.3]heptan-1-one

Structural Information

Molecular Formula
C8H11BrO
SMILES
C1CC2(C1)C(CC2=O)CBr
InChI
InChI=1S/C8H11BrO/c9-5-6-4-7(10)8(6)2-1-3-8/h6H,1-5H2
InChIKey
UQLHEVHAEYUUML-UHFFFAOYSA-N
Compound name
1-(bromomethyl)spiro[3.3]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.99933 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.00661 114.6
[M+Na]+ 224.98855 123.5
[M-H]- 200.99205 122.7
[M+NH4]+ 220.03315 126.9
[M+K]+ 240.96249 119.6
[M+H-H2O]+ 184.99659 108.9
[M+HCOO]- 246.99753 132.1
[M+CH3COO]- 261.01318 194.2
[M+Na-2H]- 222.97400 123.4
[M]+ 201.99878 145.1
[M]- 201.99988 145.1
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.