CID 24273721

788155-48-6

Structural Information

Molecular Formula

C₁₄H₂₁NO

SMILES

COC1=CC=CC=C1C2(CCCCC2)CN

InChI

InChI=1S/C14H21NO/c1-16-13-8-4-3-7-12(13)14(11-15)9-5-2-6-10-14/h3-4,7-8H,2,5-6,9-11,15H2,1H3

InChIKey

NCTHUKAOSKHWBG-UHFFFAOYSA-N

Compound name

[1-(2-methoxyphenyl)cyclohexyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 219.16231 Da
Monoisotopic Mass: 3.1
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]+	220.16959	152.6
[M+Na]+	242.15153	164.4
[M+NH4]+	237.19613	163.4
[M+K]+	258.12547	154.8
[M-H]-	218.15503	157.8
[M+Na-2H]-	240.13698	161.8
[M]+	219.16176	155.9
[M]-	219.16286	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe