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

1
Patents

201.99933 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.006606 138.8
[M+Na]+ 224.988548 151.4
[M-H]- 200.992054 147.9
[M+NH4]+ 220.033153 159.1
[M+K]+ 240.962488 141.4
[M+H-H2O]+ 184.996590 139.9
[M+HCOO]- 246.997531 157.5
[M+CH3COO]- 261.013181 184.1
[M+Na-2H]- 222.973996 146.6
[M]+ 201.99878142 155.6
[M]- 201.99987858 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

patents stripe