CID 21117989

Ns00054893

Structural Information

Molecular Formula

C₂₀H₃₅NO₂

SMILES

CC(C)CC1=C(C(=CC=C1)OCCOCCN(C)C)CC(C)C

InChI

InChI=1S/C20H35NO2/c1-16(2)14-18-8-7-9-20(19(18)15-17(3)4)23-13-12-22-11-10-21(5)6/h7-9,16-17H,10-15H2,1-6H3

InChIKey

UQHKVRFAYPCQOO-UHFFFAOYSA-N

Compound name

2-[2-[2,3-bis(2-methylpropyl)phenoxy]ethoxy]-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 321.26678 Da
Monoisotopic Mass: 5.0
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]+	322.274056	185.4
[M+Na]+	344.255998	188.6
[M-H]-	320.259504	189.1
[M+NH4]+	339.300603	200.4
[M+K]+	360.229938	187.4
[M+H-H2O]+	304.264040	177.3
[M+HCOO]-	366.264981	206.1
[M+CH3COO]-	380.280631	220.7
[M+Na-2H]-	342.241446	183.2
[M]+	321.26623142	192.2
[M]-	321.26732858	192.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.