CID 19627340

100617-42-3

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

C1CCC(CC1)OC2=CC=C(C=C2)CN

InChI

InChI=1S/C13H19NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h6-9,12H,1-5,10,14H2

InChIKey

TZGIKTKRPOBYLW-UHFFFAOYSA-N

Compound name

(4-cyclohexyloxyphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 205.14667 Da
Monoisotopic Mass: 2.6
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	147.0
[M+Na]+	228.13589	151.0
[M-H]-	204.13939	152.2
[M+NH4]+	223.18049	165.0
[M+K]+	244.10983	148.1
[M+H-H2O]+	188.14393	139.6
[M+HCOO]-	250.14487	168.0
[M+CH3COO]-	264.16052	187.4
[M+Na-2H]-	226.12134	151.2
[M]+	205.14612	141.5
[M]-	205.14722	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe