CID 28917747

2567495-69-4

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

CC1=CC(=CC=C1)OCCC(C)(C)N

InChI

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

InChIKey

SMUBAJAFLRRZNT-UHFFFAOYSA-N

Compound name

2-methyl-4-(3-methylphenoxy)butan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 193.14667 Da
Monoisotopic Mass: 2.7
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	145.2
[M+Na]+	216.13589	156.7
[M+NH4]+	211.18049	153.6
[M+K]+	232.10983	150.4
[M-H]-	192.13939	147.6
[M+Na-2H]-	214.12134	151.7
[M]+	193.14612	147.5
[M]-	193.14722	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe