CID 107067

68039-37-2

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

C1C=CC2C1C3CC2C(C3)OCCO

InChI

InChI=1S/C12H18O2/c13-4-5-14-12-7-8-6-11(12)10-3-1-2-9(8)10/h1,3,8-13H,2,4-7H2

InChIKey

ZRODRNFZZZFLER-UHFFFAOYSA-N

Compound name

2-(8-tricyclo[5.2.1.02,6]dec-4-enyloxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 194.13068 Da
Monoisotopic Mass: 1.4
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]+	195.13796	147.4
[M+Na]+	217.11990	154.5
[M-H]-	193.12340	150.0
[M+NH4]+	212.16450	174.1
[M+K]+	233.09384	151.6
[M+H-H2O]+	177.12794	144.1
[M+HCOO]-	239.12888	167.1
[M+CH3COO]-	253.14453	160.2
[M+Na-2H]-	215.10535	148.6
[M]+	194.13013	147.6
[M]-	194.13123	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe