CID 145867348

5-bromospiro[2.5]octan-6-one

Structural Information

Molecular Formula
C8H11BrO
SMILES
C1CC2(CC2)CC(C1=O)Br
InChI
InChI=1S/C8H11BrO/c9-6-5-8(3-4-8)2-1-7(6)10/h6H,1-5H2
InChIKey
WDZUXRATAWZFFA-UHFFFAOYSA-N
Compound name
7-bromospiro[2.5]octan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.99933 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.00661 138.8
[M+Na]+ 224.98855 151.4
[M-H]- 200.99205 147.9
[M+NH4]+ 220.03315 159.1
[M+K]+ 240.96249 141.4
[M+H-H2O]+ 184.99659 139.9
[M+HCOO]- 246.99753 157.5
[M+CH3COO]- 261.01318 184.1
[M+Na-2H]- 222.97400 146.6
[M]+ 201.99878 155.6
[M]- 201.99988 155.6
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.