CID 96509

13380-94-4

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

3
Annotation Hits: 0
References: 187
Patents: 150.10446 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	151.11174	132.9
[M+Na]+	173.09368	141.0
[M+NH4]+	168.13828	143.6
[M+K]+	189.06762	140.2
[M-H]-	149.09718	133.6
[M+Na-2H]-	171.07913	133.0
[M]+	150.10391	133.9
[M]-	150.10501	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe