CID 76014

2773-50-4

Structural Information

Molecular Formula

C₁₉H₃₁NO₂

SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2CCOCC2

InChI

InChI=1S/C19H31NO2/c1-18(2,3)15-11-14(13-20-7-9-22-10-8-20)12-16(17(15)21)19(4,5)6/h11-12,21H,7-10,13H2,1-6H3

InChIKey

KWGUJRCPGGSTKB-UHFFFAOYSA-N

Compound name

2,6-ditert-butyl-4-(morpholin-4-ylmethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 42
Patents: 305.23547 Da
Monoisotopic Mass: 4.4
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]+	306.24275	177.5
[M+Na]+	328.22469	182.3
[M-H]-	304.22819	181.5
[M+NH4]+	323.26929	189.7
[M+K]+	344.19863	180.1
[M+H-H2O]+	288.23273	170.3
[M+HCOO]-	350.23367	189.4
[M+CH3COO]-	364.24932	205.4
[M+Na-2H]-	326.21014	180.1
[M]+	305.23492	176.3
[M]-	305.23602	176.3

Literature stripe

literature stripe

Patent stripe

patents stripe