CID 14619456

Isododecylphenol

Structural Information

Molecular Formula

C₁₈H₃₀O

SMILES

CC(C)CCCCCCCCCC1=CC=CC=C1O

InChI

InChI=1S/C18H30O/c1-16(2)12-8-6-4-3-5-7-9-13-17-14-10-11-15-18(17)19/h10-11,14-16,19H,3-9,12-13H2,1-2H3

InChIKey

NNAVBEAARXTLEG-UHFFFAOYSA-N

Compound name

2-(10-methylundecyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 616
Patents: 262.22968 Da
Monoisotopic Mass: 7.5
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]+	263.236956	169.3
[M+Na]+	285.218898	173.1
[M-H]-	261.222404	170.1
[M+NH4]+	280.263503	185.5
[M+K]+	301.192838	169.0
[M+H-H2O]+	245.226940	162.4
[M+HCOO]-	307.227881	188.5
[M+CH3COO]-	321.243531	199.8
[M+Na-2H]-	283.204346	170.1
[M]+	262.22913142	171.7
[M]-	262.23022858	171.7

Literature stripe

literature stripe

Patent stripe

patents stripe