CID 174862

Grevillol

Structural Information

Molecular Formula

C₁₉H₃₂O₂

SMILES

CCCCCCCCCCCCCC1=CC(=CC(=C1)O)O

InChI

InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h14-16,20-21H,2-13H2,1H3

InChIKey

UXOGOSLLGMYCNL-UHFFFAOYSA-N

Compound name

5-tridecylbenzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 37
Patents: 292.24023 Da
Monoisotopic Mass: 8.0
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]+	293.247506	176.3
[M+Na]+	315.229448	180.3
[M-H]-	291.232954	175.8
[M+NH4]+	310.274053	190.9
[M+K]+	331.203388	175.2
[M+H-H2O]+	275.237490	169.4
[M+HCOO]-	337.238431	194.9
[M+CH3COO]-	351.254081	202.5
[M+Na-2H]-	313.214896	176.7
[M]+	292.23968142	179.7
[M]-	292.24077858	179.7

Literature stripe

literature stripe

Patent stripe

patents stripe