CID 85770439

32986-43-9

Structural Information

Molecular Formula

C₈H₁₂O

SMILES

C1C2CC(C1C3C2C3)O

InChI

InChI=1S/C8H12O/c9-8-2-4-1-7(8)6-3-5(4)6/h4-9H,1-3H2

InChIKey

ALGYNBXGDXXSEN-UHFFFAOYSA-N

Compound name

tricyclo[3.2.1.02,4]octan-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 124.08881 Da
Monoisotopic Mass: 1.2
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]+	125.09609	124.9
[M+Na]+	147.07803	135.7
[M-H]-	123.08153	128.6
[M+NH4]+	142.12263	147.8
[M+K]+	163.05197	131.5
[M+H-H2O]+	107.08607	121.5
[M+HCOO]-	169.08701	144.3
[M+CH3COO]-	183.10266	139.0
[M+Na-2H]-	145.06348	130.0
[M]+	124.08826	126.4
[M]-	124.08936	126.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.