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]+ 137.09610 119.5
[M+Na]+ 159.07804 126.5
[M+NH4]+ 154.12264 128.2
[M+K]+ 175.05198 121.4
[M-H]- 135.08154 116.6
[M+Na-2H]- 157.06349 116.4
[M]+ 136.08827 118.6
[M]- 136.08937 118.6
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

No patent data available for this compound.