CID 24273706

4-(4-methoxyphenyl)oxan-4-amine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

COC1=CC=C(C=C1)C2(CCOCC2)N

InChI

InChI=1S/C12H17NO2/c1-14-11-4-2-10(3-5-11)12(13)6-8-15-9-7-12/h2-5H,6-9,13H2,1H3

InChIKey

JIXHHFBHQNKYDO-UHFFFAOYSA-N

Compound name

4-(4-methoxyphenyl)oxan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 207.12593 Da
Monoisotopic Mass: 0.9
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]+	208.13321	146.4
[M+Na]+	230.11515	151.9
[M-H]-	206.11865	152.8
[M+NH4]+	225.15975	165.1
[M+K]+	246.08909	151.0
[M+H-H2O]+	190.12319	139.6
[M+HCOO]-	252.12413	167.1
[M+CH3COO]-	266.13978	186.0
[M+Na-2H]-	228.10060	153.1
[M]+	207.12538	143.0
[M]-	207.12648	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe