CID 3016937

2,4,5-triisopropylphenol

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

CC(C)C1=CC(=C(C=C1C(C)C)O)C(C)C

InChI

InChI=1S/C15H24O/c1-9(2)12-7-14(11(5)6)15(16)8-13(12)10(3)4/h7-11,16H,1-6H3

InChIKey

MMALDENJQINSHY-UHFFFAOYSA-N

Compound name

2,4,5-tri(propan-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 220.18271 Da
Monoisotopic Mass: 4.9
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]+	221.189986	152.8
[M+Na]+	243.171928	159.4
[M-H]-	219.175434	155.4
[M+NH4]+	238.216533	171.4
[M+K]+	259.145868	157.3
[M+H-H2O]+	203.179970	147.6
[M+HCOO]-	265.180911	171.2
[M+CH3COO]-	279.196561	195.0
[M+Na-2H]-	241.157376	151.7
[M]+	220.18216142	153.8
[M]-	220.18325858	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe