CID 22978917

1-[4-(benzyloxy)phenyl]propan-2-ol

Structural Information

Molecular Formula

C₁₆H₁₈O₂

SMILES

CC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)O

InChI

InChI=1S/C16H18O2/c1-13(17)11-14-7-9-16(10-8-14)18-12-15-5-3-2-4-6-15/h2-10,13,17H,11-12H2,1H3

InChIKey

NUBBCIWCHIAYEO-UHFFFAOYSA-N

Compound name

1-(4-phenylmethoxyphenyl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 242.13068 Da
Monoisotopic Mass: 3.8
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]+	243.137956	156.2
[M+Na]+	265.119898	162.1
[M-H]-	241.123404	161.2
[M+NH4]+	260.164503	172.7
[M+K]+	281.093838	158.4
[M+H-H2O]+	225.127940	148.8
[M+HCOO]-	287.128881	177.9
[M+CH3COO]-	301.144531	191.5
[M+Na-2H]-	263.105346	160.8
[M]+	242.13013142	156.7
[M]-	242.13122858	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe