CID 61064031

3-(benzyloxy)oxan-4-amine

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

C1COCC(C1N)OCC2=CC=CC=C2

InChI

InChI=1S/C12H17NO2/c13-11-6-7-14-9-12(11)15-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2

InChIKey

VFZHBGRHGFTYGZ-UHFFFAOYSA-N

Compound name

3-phenylmethoxyoxan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 207.12593 Da
Monoisotopic Mass: 0.7
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]+	208.133206	146.2
[M+Na]+	230.115148	150.7
[M-H]-	206.118654	152.2
[M+NH4]+	225.159753	162.8
[M+K]+	246.089088	149.5
[M+H-H2O]+	190.123190	138.8
[M+HCOO]-	252.124131	166.9
[M+CH3COO]-	266.139781	186.4
[M+Na-2H]-	228.100596	151.9
[M]+	207.12538142	142.5
[M]-	207.12647858	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe