CID 12220626

Tricyclo[3.2.1.0,2,4]octan-6-one

Structural Information

Molecular Formula
C8H10O
SMILES
C1C2CC(=O)C1C3C2C3
InChI
InChI=1S/C8H10O/c9-8-2-4-1-7(8)6-3-5(4)6/h4-7H,1-3H2
InChIKey
CAUIZJLYORWHDU-UHFFFAOYSA-N
Compound name
tricyclo[3.2.1.02,4]octan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

122.073166 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.080442 125.4
[M+Na]+ 145.062384 136.8
[M-H]- 121.065890 130.4
[M+NH4]+ 140.106989 148.9
[M+K]+ 161.036324 132.9
[M+H-H2O]+ 105.070426 121.7
[M+HCOO]- 167.071367 146.3
[M+CH3COO]- 181.087017 140.1
[M+Na-2H]- 143.047832 130.7
[M]+ 122.07261742 127.9
[M]- 122.07371458 127.9
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.