CID 44149219

84824-98-6

Structural Information

Molecular Formula

C₁₇H₂₇NO₂

SMILES

CC1=C(C(=C(C=C1CN2CCOCC2)C(C)(C)C)O)C

InChI

InChI=1S/C17H27NO2/c1-12-13(2)16(19)15(17(3,4)5)10-14(12)11-18-6-8-20-9-7-18/h10,19H,6-9,11H2,1-5H3

InChIKey

XWSQFJVVYKOGEV-UHFFFAOYSA-N

Compound name

6-tert-butyl-2,3-dimethyl-4-(morpholin-4-ylmethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.2042 Da
Monoisotopic Mass: 3.4
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]+	278.211476	169.4
[M+Na]+	300.193418	175.5
[M-H]-	276.196924	173.8
[M+NH4]+	295.238023	182.9
[M+K]+	316.167358	173.2
[M+H-H2O]+	260.201460	162.1
[M+HCOO]-	322.202401	183.5
[M+CH3COO]-	336.218051	200.7
[M+Na-2H]-	298.178866	171.2
[M]+	277.20365142	168.5
[M]-	277.20474858	168.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.