CID 13096087

87074-74-6

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

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

InChI

InChI=1S/C11H16O/c1-7(2)11-8(3)5-10(12)6-9(11)4/h5-7,12H,1-4H3

InChIKey

HTJQXVJRONQICG-UHFFFAOYSA-N

Compound name

3,5-dimethyl-4-propan-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 164.12012 Da
Monoisotopic Mass: 3.4
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]+	165.12740	134.7
[M+Na]+	187.10934	143.5
[M-H]-	163.11284	137.9
[M+NH4]+	182.15394	155.7
[M+K]+	203.08328	141.4
[M+H-H2O]+	147.11738	130.0
[M+HCOO]-	209.11832	156.4
[M+CH3COO]-	223.13397	181.1
[M+Na-2H]-	185.09479	138.2
[M]+	164.11957	135.5
[M]-	164.12067	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe