CID 198411

2,6-diisopropyl-3,5-xylenol

Structural Information

Molecular Formula

C₁₄H₂₂O

SMILES

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

InChI

InChI=1S/C14H22O/c1-8(2)12-10(5)7-11(6)13(9(3)4)14(12)15/h7-9,15H,1-6H3

InChIKey

BSRNBFQSPKHHOR-UHFFFAOYSA-N

Compound name

3,5-dimethyl-2,6-di(propan-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 206.16707 Da
Monoisotopic Mass: 4.5
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]+	207.17435	147.3
[M+Na]+	229.15629	155.5
[M-H]-	205.15979	150.4
[M+NH4]+	224.20089	166.9
[M+K]+	245.13023	153.2
[M+H-H2O]+	189.16433	142.5
[M+HCOO]-	251.16527	167.0
[M+CH3COO]-	265.18092	192.3
[M+Na-2H]-	227.14174	147.4
[M]+	206.16652	149.0
[M]-	206.16762	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe