CID 200069

5583-16-4

Structural Information

Molecular Formula

C₁₄H₁₈N₂O₂

SMILES

COC1=CC=C(C=C1)[C@@H]2[C@@H]3CCCCN3C(=N)O2

InChI

InChI=1S/C14H18N2O2/c1-17-11-7-5-10(6-8-11)13-12-4-2-3-9-16(12)14(15)18-13/h5-8,12-13,15H,2-4,9H2,1H3/t12-,13+/m0/s1

InChIKey

UPGJQOUOERKYFW-QWHCGFSZSA-N

Compound name

(1R,8aS)-1-(4-methoxyphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 246.13683 Da
Monoisotopic Mass: 2.4
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]+	247.144106	155.4
[M+Na]+	269.126048	161.4
[M-H]-	245.129554	161.7
[M+NH4]+	264.170653	172.5
[M+K]+	285.099988	158.9
[M+H-H2O]+	229.134090	147.7
[M+HCOO]-	291.135031	174.0
[M+CH3COO]-	305.150681	167.0
[M+Na-2H]-	267.111496	158.9
[M]+	246.13628142	152.0
[M]-	246.13737858	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.