CID 4377937

13037-88-2

Structural Information

Molecular Formula

C₂₂H₃₈O₂

SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)O

InChI

InChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-24-22-18-16-21(23)17-19-22/h16-19,23H,2-15,20H2,1H3

InChIKey

CWTMUDGIRYDDHJ-UHFFFAOYSA-N

Compound name

4-hexadecoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 297
Patents: 334.28717 Da
Monoisotopic Mass: 9.4
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]+	335.294446	189.9
[M+Na]+	357.276388	192.1
[M-H]-	333.279894	189.8
[M+NH4]+	352.320993	203.1
[M+K]+	373.250328	187.0
[M+H-H2O]+	317.284430	181.8
[M+HCOO]-	379.285371	208.9
[M+CH3COO]-	393.301021	212.9
[M+Na-2H]-	355.261836	189.8
[M]+	334.28662142	195.9
[M]-	334.28771858	195.9

Literature stripe

literature stripe

Patent stripe

patents stripe