CID 591417

27567-85-7

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

C1C2CC3CC1CC(=O)C3C2

InChI

InChI=1S/C10H14O/c11-10-5-7-1-6-2-8(3-7)9(10)4-6/h6-9H,1-5H2

InChIKey

BYLLPDFBHUIPKF-UHFFFAOYSA-N

Compound name

tricyclo[4.3.1.03,8]decan-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
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	130.7
[M+Na]+	173.09368	141.0
[M+NH4]+	168.13828	142.1
[M+K]+	189.06762	135.6
[M-H]-	149.09718	131.5
[M+Na-2H]-	171.07913	131.1
[M]+	150.10391	132.2
[M]-	150.10501	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe