CID 83261695

Akos021584042

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

C1CC(CCC1CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C13H19NO/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h3-4,7-8,10,12,15H,1-2,5-6,9,14H2

InChIKey

XFSVNRNFVMZMFZ-UHFFFAOYSA-N

Compound name

4-[(4-aminocyclohexyl)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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]+	206.153946	147.4
[M+Na]+	228.135888	152.0
[M-H]-	204.139394	151.6
[M+NH4]+	223.180493	165.1
[M+K]+	244.109828	148.2
[M+H-H2O]+	188.143930	140.6
[M+HCOO]-	250.144871	166.9
[M+CH3COO]-	264.160521	186.0
[M+Na-2H]-	226.121336	150.5
[M]+	205.14612142	140.5
[M]-	205.14721858	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe