CID 21124707

3306-95-4

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

C1CC2(CC1C3C2C4C(C3)O4)O

InChI

InChI=1S/C10H14O2/c11-10-2-1-5(4-10)6-3-7-9(12-7)8(6)10/h5-9,11H,1-4H2

InChIKey

HUXLEEUBQNQIPG-UHFFFAOYSA-N

Compound name

4-oxatetracyclo[6.2.1.02,7.03,5]undecan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 166.09938 Da
Monoisotopic Mass: 0.7
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]+	167.10666	134.7
[M+Na]+	189.08860	145.7
[M-H]-	165.09210	139.7
[M+NH4]+	184.13320	158.8
[M+K]+	205.06254	142.2
[M+H-H2O]+	149.09664	132.9
[M+HCOO]-	211.09758	150.8
[M+CH3COO]-	225.11323	148.4
[M+Na-2H]-	187.07405	139.5
[M]+	166.09883	137.5
[M]-	166.09993	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe