CID 6452087

47310-94-1

Structural Information

Molecular Formula

C₁₉H₂₄O₄

SMILES

CC(COC1=CC=C(C=C1)CC2=CC=C(C=C2)OCC(C)O)O

InChI

InChI=1S/C19H24O4/c1-14(20)12-22-18-7-3-16(4-8-18)11-17-5-9-19(10-6-17)23-13-15(2)21/h3-10,14-15,20-21H,11-13H2,1-2H3

InChIKey

BUTHHJITGFIWHH-UHFFFAOYSA-N

Compound name

1-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 316.16745 Da
Monoisotopic Mass: 3.3
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]+	317.174726	176.3
[M+Na]+	339.156668	180.7
[M-H]-	315.160174	179.8
[M+NH4]+	334.201273	189.1
[M+K]+	355.130608	177.5
[M+H-H2O]+	299.164710	168.3
[M+HCOO]-	361.165651	194.8
[M+CH3COO]-	375.181301	204.2
[M+Na-2H]-	337.142116	176.9
[M]+	316.16690142	178.7
[M]-	316.16799858	178.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe