CID 109652

3,4-diisopropylphenol

Structural Information

Molecular Formula

C₁₂H₁₈O

SMILES

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

InChI

InChI=1S/C12H18O/c1-8(2)11-6-5-10(13)7-12(11)9(3)4/h5-9,13H,1-4H3

InChIKey

VTJCIWXYZXSECW-UHFFFAOYSA-N

Compound name

3,4-di(propan-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 101
Patents: 178.13577 Da
Monoisotopic Mass: 3.8
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]+	179.14305	141.0
[M+Na]+	201.12499	153.5
[M+NH4]+	196.16959	149.7
[M+K]+	217.09893	147.6
[M-H]-	177.12849	143.1
[M+Na-2H]-	199.11044	146.9
[M]+	178.13522	143.4
[M]-	178.13632	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe