CID 96509

Tricyclo[5.2.1.02,6]decan-8-one

Structural Information

Molecular Formula
C10H14O
SMILES
C1CC2C(C1)C3CC2CC3=O
InChI
InChI=1S/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-9H,1-5H2
InChIKey
OMIDXVJKZCPKEI-UHFFFAOYSA-N
Compound name
tricyclo[5.2.1.02,6]decan-8-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

187
Patents

150.10446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 136.2
[M+Na]+ 173.09368 144.0
[M-H]- 149.09718 140.1
[M+NH4]+ 168.13828 165.2
[M+K]+ 189.06762 141.4
[M+H-H2O]+ 133.10172 133.1
[M+HCOO]- 195.10266 156.6
[M+CH3COO]- 209.11831 150.1
[M+Na-2H]- 171.07913 137.6
[M]+ 150.10391 134.0
[M]- 150.10501 134.0
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

patents stripe