CID 107363

Bicyclo[3.2.1]octan-2-one

Structural Information

Molecular Formula
C8H12O
SMILES
C1CC2CC1CCC2=O
InChI
InChI=1S/C8H12O/c9-8-4-2-6-1-3-7(8)5-6/h6-7H,1-5H2
InChIKey
SXFPXZSENHPCSH-UHFFFAOYSA-N
Compound name
bicyclo[3.2.1]octan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

124.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 125.0
[M+Na]+ 147.07803 135.3
[M+NH4]+ 142.12263 135.5
[M+K]+ 163.05197 130.4
[M-H]- 123.08153 126.4
[M+Na-2H]- 145.06348 128.1
[M]+ 124.08826 126.6
[M]- 124.08936 126.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe