CID 3032831

Decylphenol

Structural Information

Molecular Formula

C₁₆H₂₆O

SMILES

CCCCCCCCCCC1=CC=CC=C1O

InChI

InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)17/h10-11,13-14,17H,2-9,12H2,1H3

InChIKey

FDIPWBUDOCPIMH-UHFFFAOYSA-N

Compound name

2-decylphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5238
Patents: 234.19836 Da
Monoisotopic Mass: 6.7
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]+	235.20564	159.2
[M+Na]+	257.18758	171.2
[M+NH4]+	252.23218	167.4
[M+K]+	273.16152	162.4
[M-H]-	233.19108	161.5
[M+Na-2H]-	255.17303	164.9
[M]+	234.19781	161.6
[M]-	234.19891	161.6

Literature stripe

literature stripe

Patent stripe

patents stripe