CID 586708

Nonyl 4-hydroxybenzoate

Structural Information

Molecular Formula

C₁₆H₂₄O₃

SMILES

CCCCCCCCCOC(=O)C1=CC=C(C=C1)O

InChI

InChI=1S/C16H24O3/c1-2-3-4-5-6-7-8-13-19-16(18)14-9-11-15(17)12-10-14/h9-12,17H,2-8,13H2,1H3

InChIKey

MBNSKHJDYXPONL-UHFFFAOYSA-N

Compound name

nonyl 4-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 195
Patents: 264.17255 Da
Monoisotopic Mass: 5.9
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]+	265.17983	164.9
[M+Na]+	287.16177	175.6
[M+NH4]+	282.20637	171.5
[M+K]+	303.13571	168.6
[M-H]-	263.16527	165.5
[M+Na-2H]-	285.14722	169.1
[M]+	264.17200	166.4
[M]-	264.17310	166.4

Literature stripe

literature stripe

Patent stripe

patents stripe