CID 3015719

34869-49-3

Structural Information

Molecular Formula

C₁₇H₂₉NO

SMILES

CC1=CC(=C(C(=C1N(C)C)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C17H29NO/c1-11-10-12(16(2,3)4)15(19)13(17(5,6)7)14(11)18(8)9/h10,19H,1-9H3

InChIKey

MOGAVOOFUGWHHE-UHFFFAOYSA-N

Compound name

2,6-ditert-butyl-3-(dimethylamino)-4-methylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 349
Patents: 263.2249 Da
Monoisotopic Mass: 5.4
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]+	264.232176	163.9
[M+Na]+	286.214118	171.6
[M-H]-	262.217624	168.4
[M+NH4]+	281.258723	182.0
[M+K]+	302.188058	170.0
[M+H-H2O]+	246.222160	159.0
[M+HCOO]-	308.223101	183.0
[M+CH3COO]-	322.238751	207.6
[M+Na-2H]-	284.199566	166.1
[M]+	263.22435142	167.3
[M]-	263.22544858	167.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe