CID 115620

Beta-tnp

Structural Information

Molecular Formula

C₁₃H₁₈O₃

SMILES

C1CCC2=C(C1)C=CC(=C2)OCC(CO)O

InChI

InChI=1S/C13H18O3/c14-8-12(15)9-16-13-6-5-10-3-1-2-4-11(10)7-13/h5-7,12,14-15H,1-4,8-9H2

InChIKey

RQKDNQXTAVOGPU-UHFFFAOYSA-N

Compound name

3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 222.1256 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]+	223.13288	149.7
[M+Na]+	245.11482	160.6
[M+NH4]+	240.15942	158.0
[M+K]+	261.08876	154.6
[M-H]-	221.11832	151.1
[M+Na-2H]-	243.10027	154.1
[M]+	222.12505	151.5
[M]-	222.12615	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe