CID 11780323

Phenol, 4-isododecyl-

Structural Information

Molecular Formula

C₁₈H₃₀O

SMILES

CC(C)CCCCCCCCCC1=CC=C(C=C1)O

InChI

InChI=1S/C18H30O/c1-16(2)10-8-6-4-3-5-7-9-11-17-12-14-18(19)15-13-17/h12-16,19H,3-11H2,1-2H3

InChIKey

IGDJYCYTMKFRMP-UHFFFAOYSA-N

Compound name

4-(10-methylundecyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 262.22968 Da
Monoisotopic Mass: 7.2
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]+	263.23696	168.5
[M+Na]+	285.21890	179.7
[M+NH4]+	280.26350	176.2
[M+K]+	301.19284	171.2
[M-H]-	261.22240	170.4
[M+Na-2H]-	283.20435	173.3
[M]+	262.22913	170.6
[M]-	262.23023	170.6

Literature stripe

literature stripe

Patent stripe

patents stripe