CID 104033

51959-14-9

Structural Information

Molecular Formula

C₂₀H₃₅NO

SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCN)C(C)(C)CC

InChI

InChI=1S/C20H35NO/c1-7-19(3,4)16-11-12-18(22-14-10-9-13-21)17(15-16)20(5,6)8-2/h11-12,15H,7-10,13-14,21H2,1-6H3

InChIKey

OZYOAOYHMMDTNZ-UHFFFAOYSA-N

Compound name

4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 154
Patents: 305.27185 Da
Monoisotopic Mass: 6.1
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]+	306.279126	181.0
[M+Na]+	328.261068	185.6
[M-H]-	304.264574	183.3
[M+NH4]+	323.305673	196.3
[M+K]+	344.235008	182.2
[M+H-H2O]+	288.269110	174.6
[M+HCOO]-	350.270051	199.3
[M+CH3COO]-	364.285701	214.0
[M+Na-2H]-	326.246516	182.8
[M]+	305.27130142	184.4
[M]-	305.27239858	184.4

Literature stripe

literature stripe

Patent stripe

patents stripe