CID 58255

Brn 3282859

Structural Information

Molecular Formula

C₁₅H₂₃NO

SMILES

CC1=C(C=CC(=C1)C(C)N)OC2CCCCC2

InChI

InChI=1S/C15H23NO/c1-11-10-13(12(2)16)8-9-15(11)17-14-6-4-3-5-7-14/h8-10,12,14H,3-7,16H2,1-2H3

InChIKey

UMCUMNQXGBNPRH-UHFFFAOYSA-N

Compound name

1-(4-cyclohexyloxy-3-methylphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 233.17796 Da
Monoisotopic Mass: 3.3
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]+	234.185236	156.6
[M+Na]+	256.167178	160.4
[M-H]-	232.170684	161.8
[M+NH4]+	251.211783	173.7
[M+K]+	272.141118	157.5
[M+H-H2O]+	216.175220	149.2
[M+HCOO]-	278.176161	175.9
[M+CH3COO]-	292.191811	195.4
[M+Na-2H]-	254.152626	157.7
[M]+	233.17741142	151.6
[M]-	233.17850858	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe