CID 13207518

Tricyclo[3.3.1.0,2,7]nonan-6-one

Structural Information

Molecular Formula
C9H12O
SMILES
C1CC2C3CC1C(=O)C2C3
InChI
InChI=1S/C9H12O/c10-9-5-1-2-7-6(3-5)4-8(7)9/h5-8H,1-4H2
InChIKey
MRGKETAERWUFMM-UHFFFAOYSA-N
Compound name
tricyclo[3.3.1.02,7]nonan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.08882 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.096096 129.2
[M+Na]+ 159.078038 133.1
[M-H]- 135.081544 128.9
[M+NH4]+ 154.122643 149.9
[M+K]+ 175.051978 134.1
[M+H-H2O]+ 119.086080 119.7
[M+HCOO]- 181.087021 139.6
[M+CH3COO]- 195.102671 140.5
[M+Na-2H]- 157.063486 140.2
[M]+ 136.08827142 138.5
[M]- 136.08936858 138.5
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.