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	148.1
[M+Na]+	228.13589	160.1
[M+NH4]+	223.18049	159.1
[M+K]+	244.10983	150.8
[M-H]-	204.13939	153.4
[M+Na-2H]-	226.12134	157.5
[M]+	205.14612	151.4
[M]-	205.14722	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe