CID 3020161

Einecs 284-250-8

Structural Information

Molecular Formula

C₁₆H₂₅NO₂

SMILES

CC1=CC(=CC(=C1O)C(C)(C)C)CN2CCOCC2

InChI

InChI=1S/C16H25NO2/c1-12-9-13(11-17-5-7-19-8-6-17)10-14(15(12)18)16(2,3)4/h9-10,18H,5-8,11H2,1-4H3

InChIKey

NEXDPQSALYOYQZ-UHFFFAOYSA-N

Compound name

2-tert-butyl-6-methyl-4-(morpholin-4-ylmethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 263.18854 Da
Monoisotopic Mass: 3.1
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]+	264.195816	165.0
[M+Na]+	286.177758	170.7
[M-H]-	262.181264	169.2
[M+NH4]+	281.222363	178.8
[M+K]+	302.151698	168.5
[M+H-H2O]+	246.185800	157.7
[M+HCOO]-	308.186741	179.6
[M+CH3COO]-	322.202391	196.5
[M+Na-2H]-	284.163206	168.1
[M]+	263.18799142	163.3
[M]-	263.18908858	163.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe