PubChemLite - Unii-ow910tgu0x (C41H60O3)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCC1=C(C(=CC(=C1)C)CC2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CCCCCCCCC)C)C)O

InChI

InChI=1S/C41H60O3/c1-6-8-10-12-14-16-18-20-33-22-30(3)24-35(39(33)42)28-37-26-32(5)27-38(41(37)44)29-36-25-31(4)23-34(40(36)43)21-19-17-15-13-11-9-7-2/h22-27,42-44H,6-21,28-29H2,1-5H3

InChIKey

VLBZQNHLWMFCEI-UHFFFAOYSA-N

Compound name

2-[[2-hydroxy-3-[(2-hydroxy-5-methyl-3-nonylphenyl)methyl]-5-methylphenyl]methyl]-4-methyl-6-nonylphenol

Related CIDs

2D Structure

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]+	601.46148	268.7
[M+Na]+	623.44342	282.0
[M+NH4]+	618.48802	273.0
[M+K]+	639.41736	269.5
[M-H]-	599.44692	274.1
[M+Na-2H]-	621.42887	271.8
[M]+	600.45365	272.3
[M]-	600.45475	272.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

601.46148

268.7

[M+Na]+

623.44342

282.0

[M+NH4]+

618.48802

273.0

[M+K]+

639.41736

269.5

[M-H]-

599.44692

274.1

[M+Na-2H]-

621.42887

271.8

[M]+

600.45365

272.3

[M]-

600.45475

272.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Unii-ow910tgu0x

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe