CID 511461

Chembl3276688

Structural Information

Molecular Formula

C₁₂H₂₀O

SMILES

C1CC2CC3CCC2C(C1)(C3)CO

InChI

InChI=1S/C12H20O/c13-8-12-5-1-2-10-6-9(7-12)3-4-11(10)12/h9-11,13H,1-8H2

InChIKey

UKVUHGGTSTXOOF-UHFFFAOYSA-N

Compound name

3-tricyclo[5.3.1.03,8]undecanylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 180.15141 Da
Monoisotopic Mass: 3.2
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]+	181.15869	140.2
[M+Na]+	203.14063	142.8
[M-H]-	179.14413	137.2
[M+NH4]+	198.18523	165.7
[M+K]+	219.11457	139.3
[M+H-H2O]+	163.14867	134.4
[M+HCOO]-	225.14961	148.2
[M+CH3COO]-	239.16526	149.8
[M+Na-2H]-	201.12608	149.9
[M]+	180.15086	136.4
[M]-	180.15196	136.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.