CID 23453466

Di-isobutylorthocresol

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

CC1=C(C=CC(=C1CC(C)C)CC(C)C)O

InChI

InChI=1S/C15H24O/c1-10(2)8-13-6-7-15(16)12(5)14(13)9-11(3)4/h6-7,10-11,16H,8-9H2,1-5H3

InChIKey

QOUMHLWGOBMLJH-UHFFFAOYSA-N

Compound name

2-methyl-3,4-bis(2-methylpropyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 220.18271 Da
Monoisotopic Mass: 5.1
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	153.4
[M+Na]+	243.171928	160.2
[M-H]-	219.175434	155.8
[M+NH4]+	238.216533	172.0
[M+K]+	259.145868	157.5
[M+H-H2O]+	203.179970	148.0
[M+HCOO]-	265.180911	172.7
[M+CH3COO]-	279.196561	194.1
[M+Na-2H]-	241.157376	153.4
[M]+	220.18216142	155.0
[M]-	220.18325858	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe