CID 1752

4-nonylphenol

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

CCCCCCCCCC1=CC=C(C=C1)O

InChI

InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3

InChIKey

IGFHQQFPSIBGKE-UHFFFAOYSA-N

Compound name

4-nonylphenol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 1151
References: 60396
Patents: 220.18271 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]+	221.18999	154.9
[M+Na]+	243.17193	160.3
[M-H]-	219.17543	156.3
[M+NH4]+	238.21653	173.0
[M+K]+	259.14587	156.5
[M+H-H2O]+	203.17997	148.6
[M+HCOO]-	265.18091	176.2
[M+CH3COO]-	279.19656	190.0
[M+Na-2H]-	241.15738	158.7
[M]+	220.18216	156.9
[M]-	220.18326	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe