CID 3017203

2,4,6-triisopropyl-m-cresol

Structural Information

Molecular Formula

C₁₆H₂₆O

SMILES

CC1=C(C(=C(C=C1C(C)C)C(C)C)O)C(C)C

InChI

InChI=1S/C16H26O/c1-9(2)13-8-14(10(3)4)16(17)15(11(5)6)12(13)7/h8-11,17H,1-7H3

InChIKey

ZGJKGUZCSAJNLW-UHFFFAOYSA-N

Compound name

3-methyl-2,4,6-tri(propan-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 234.19836 Da
Monoisotopic Mass: 5.3
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]+	235.205636	156.1
[M+Na]+	257.187578	163.2
[M-H]-	233.191084	158.9
[M+NH4]+	252.232183	174.5
[M+K]+	273.161518	160.9
[M+H-H2O]+	217.195620	151.0
[M+HCOO]-	279.196561	174.1
[M+CH3COO]-	293.212211	199.3
[M+Na-2H]-	255.173026	153.9
[M]+	234.19781142	157.9
[M]-	234.19890858	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe