CID 74622

1860-60-2

Structural Information

Molecular Formula

C₁₅H₁₆O₃

SMILES

COC1=C(C=C(C=C1)CO)OCC2=CC=CC=C2

InChI

InChI=1S/C15H16O3/c1-17-14-8-7-13(10-16)9-15(14)18-11-12-5-3-2-4-6-12/h2-9,16H,10-11H2,1H3

InChIKey

USBKCBSYNCWKLB-UHFFFAOYSA-N

Compound name

(4-methoxy-3-phenylmethoxyphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 73
Patents: 244.10994 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]+	245.117216	154.2
[M+Na]+	267.099158	161.7
[M-H]-	243.102664	159.8
[M+NH4]+	262.143763	171.0
[M+K]+	283.073098	158.4
[M+H-H2O]+	227.107200	146.8
[M+HCOO]-	289.108141	177.4
[M+CH3COO]-	303.123791	190.8
[M+Na-2H]-	265.084606	159.9
[M]+	244.10939142	156.8
[M]-	244.11048858	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe