CID 118175

34646-56-5

Structural Information

Molecular Formula

C₁₃H₁₄O₃

SMILES

C1=CC=C2C=C(C=CC2=C1)OCC(CO)O

InChI

InChI=1S/C13H14O3/c14-8-12(15)9-16-13-6-5-10-3-1-2-4-11(10)7-13/h1-7,12,14-15H,8-9H2

InChIKey

VKXGYKMQYZFKAP-UHFFFAOYSA-N

Compound name

3-naphthalen-2-yloxypropane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 218.0943 Da
Monoisotopic Mass: 2.2
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]+	219.101576	146.8
[M+Na]+	241.083518	153.5
[M-H]-	217.087024	148.5
[M+NH4]+	236.128123	164.9
[M+K]+	257.057458	150.3
[M+H-H2O]+	201.091560	140.8
[M+HCOO]-	263.092501	166.6
[M+CH3COO]-	277.108151	183.8
[M+Na-2H]-	239.068966	153.3
[M]+	218.09375142	147.3
[M]-	218.09484858	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe