CID 3060433

78110-23-3

Structural Information

Molecular Formula

C₁₅H₂₅NO

SMILES

CC1=CC(=C(C(=C1)C)OCC(C)NC(C)C)C

InChI

InChI=1S/C15H25NO/c1-10(2)16-14(6)9-17-15-12(4)7-11(3)8-13(15)5/h7-8,10,14,16H,9H2,1-6H3

InChIKey

NJODERLLQOCZSC-UHFFFAOYSA-N

Compound name

N-propan-2-yl-1-(2,4,6-trimethylphenoxy)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 235.19362 Da
Monoisotopic Mass: 3.8
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]+	236.20090	158.2
[M+Na]+	258.18284	164.5
[M-H]-	234.18634	162.0
[M+NH4]+	253.22744	176.6
[M+K]+	274.15678	162.7
[M+H-H2O]+	218.19088	151.9
[M+HCOO]-	280.19182	180.0
[M+CH3COO]-	294.20747	201.5
[M+Na-2H]-	256.16829	158.9
[M]+	235.19307	160.9
[M]-	235.19417	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe