CID 218353

40504-26-5

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

COC1=CC=C(C=C1)C2CCC(CC2)N

InChI

InChI=1S/C13H19NO/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h4-5,8-10,12H,2-3,6-7,14H2,1H3

InChIKey

GWBJBSROPIYQJC-UHFFFAOYSA-N

Compound name

4-(4-methoxyphenyl)cyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 205.14667 Da
Monoisotopic Mass: 2.3
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]+	206.15395	147.1
[M+Na]+	228.13589	152.0
[M-H]-	204.13939	152.7
[M+NH4]+	223.18049	165.4
[M+K]+	244.10983	149.1
[M+H-H2O]+	188.14393	140.0
[M+HCOO]-	250.14487	168.1
[M+CH3COO]-	264.16052	188.5
[M+Na-2H]-	226.12134	150.6
[M]+	205.14612	142.0
[M]-	205.14722	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe