CID 6911

Ethyl 762

Structural Information

Molecular Formula

C₁₆H₂₆O₂

SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)COC

InChI

InChI=1S/C16H26O2/c1-15(2,3)12-8-11(10-18-7)9-13(14(12)17)16(4,5)6/h8-9,17H,10H2,1-7H3

InChIKey

SCXYLTWTWUGEAA-UHFFFAOYSA-N

Compound name

2,6-ditert-butyl-4-(methoxymethyl)phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 10258
Patents: 250.19328 Da
Monoisotopic Mass: 4.6
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]+	251.20056	162.1
[M+Na]+	273.18250	173.7
[M+NH4]+	268.22710	169.3
[M+K]+	289.15644	168.4
[M-H]-	249.18600	162.7
[M+Na-2H]-	271.16795	166.8
[M]+	250.19273	164.1
[M]-	250.19383	164.1

Literature stripe

literature stripe

Patent stripe

patents stripe