CID 36133779

125802-07-5

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

COC1=CC=CC(=C1)C2(CCCCC2)N

InChI

InChI=1S/C13H19NO/c1-15-12-7-5-6-11(10-12)13(14)8-3-2-4-9-13/h5-7,10H,2-4,8-9,14H2,1H3

InChIKey

HCAWFOVQBDALEZ-UHFFFAOYSA-N

Compound name

1-(3-methoxyphenyl)cyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 22
Patents: 205.14667 Da
Monoisotopic Mass: 2.4
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]+	206.15395	147.5
[M+Na]+	228.13589	152.5
[M-H]-	204.13939	153.1
[M+NH4]+	223.18049	167.6
[M+K]+	244.10983	149.9
[M+H-H2O]+	188.14393	140.8
[M+HCOO]-	250.14487	168.6
[M+CH3COO]-	264.16052	186.9
[M+Na-2H]-	226.12134	152.7
[M]+	205.14612	142.3
[M]-	205.14722	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe