CID 2560686

908596-56-5

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

CC(C)(C)C1=CC=C(C=C1)OCCN

InChI

InChI=1S/C12H19NO/c1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h4-7H,8-9,13H2,1-3H3

InChIKey

PMADTOCMHRNTRG-UHFFFAOYSA-N

Compound name

2-(4-tert-butylphenoxy)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 193.14667 Da
Monoisotopic Mass: 2.6
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]+	194.15395	145.6
[M+Na]+	216.13589	152.4
[M-H]-	192.13939	148.8
[M+NH4]+	211.18049	165.1
[M+K]+	232.10983	150.3
[M+H-H2O]+	176.14393	139.9
[M+HCOO]-	238.14487	168.3
[M+CH3COO]-	252.16052	187.4
[M+Na-2H]-	214.12134	151.4
[M]+	193.14612	146.1
[M]-	193.14722	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe