CID 13438596

Tricyclo[3.2.1.0,2,7]octan-3-one

Structural Information

Molecular Formula
C8H10O
SMILES
C1C2CC3C1C3C(=O)C2
InChI
InChI=1S/C8H10O/c9-7-3-4-1-5-6(2-4)8(5)7/h4-6,8H,1-3H2
InChIKey
IYDIBEJLJRMFIC-UHFFFAOYSA-N
Compound name
tricyclo[3.2.1.02,7]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

122.073166 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.080442 124.1
[M+Na]+ 145.062384 133.2
[M-H]- 121.065890 125.0
[M+NH4]+ 140.106989 147.9
[M+K]+ 161.036324 129.3
[M+H-H2O]+ 105.070426 119.9
[M+HCOO]- 167.071367 138.6
[M+CH3COO]- 181.087017 137.1
[M+Na-2H]- 143.047832 133.9
[M]+ 122.07261742 129.3
[M]- 122.07371458 129.3
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.