CID 23003855

1335139-35-9

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

C1CC(CCC1N)OC2=CC=CC=C2

InChI

InChI=1S/C12H17NO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-5,10,12H,6-9,13H2

InChIKey

WLFSMHCWFMCPKT-UHFFFAOYSA-N

Compound name

4-phenoxycyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 191.13101 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]+	192.13829	142.5
[M+Na]+	214.12023	146.9
[M-H]-	190.12373	147.8
[M+NH4]+	209.16483	161.0
[M+K]+	230.09417	144.2
[M+H-H2O]+	174.12827	135.3
[M+HCOO]-	236.12921	163.9
[M+CH3COO]-	250.14486	184.3
[M+Na-2H]-	212.10568	147.2
[M]+	191.13046	136.6
[M]-	191.13156	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe