CID 572065

1-phenyl-1-decanol

Structural Information

Molecular Formula

C₁₆H₂₆O

SMILES

CCCCCCCCCC(C1=CC=CC=C1)O

InChI

InChI=1S/C16H26O/c1-2-3-4-5-6-7-11-14-16(17)15-12-9-8-10-13-15/h8-10,12-13,16-17H,2-7,11,14H2,1H3

InChIKey

MRZGGLIGGZHSBZ-UHFFFAOYSA-N

Compound name

1-phenyldecan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 213
Patents: 234.19836 Da
Monoisotopic Mass: 5.6
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]+	235.205636	160.7
[M+Na]+	257.187578	164.4
[M-H]-	233.191084	161.5
[M+NH4]+	252.232183	177.7
[M+K]+	273.161518	160.8
[M+H-H2O]+	217.195620	154.0
[M+HCOO]-	279.196561	180.6
[M+CH3COO]-	293.212211	192.7
[M+Na-2H]-	255.173026	163.3
[M]+	234.19781142	162.0
[M]-	234.19890858	162.0

Literature stripe

literature stripe

Patent stripe

patents stripe