CID 46839344

Pcmea

Structural Information

Molecular Formula

C₁₅H₂₃NO

SMILES

COCCNC1(CCCCC1)C2=CC=CC=C2

InChI

InChI=1S/C15H23NO/c1-17-13-12-16-15(10-6-3-7-11-15)14-8-4-2-5-9-14/h2,4-5,8-9,16H,3,6-7,10-13H2,1H3

InChIKey

MSZKHYPXVOHFEV-UHFFFAOYSA-N

Compound name

N-(2-methoxyethyl)-1-phenylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 20
Patents: 233.17796 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]+	234.18524	156.0
[M+Na]+	256.16718	159.1
[M-H]-	232.17068	161.3
[M+NH4]+	251.21178	174.9
[M+K]+	272.14112	156.3
[M+H-H2O]+	216.17522	148.5
[M+HCOO]-	278.17616	177.0
[M+CH3COO]-	292.19181	192.5
[M+Na-2H]-	254.15263	161.9
[M]+	233.17741	152.1
[M]-	233.17851	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe