CID 43350828

2248330-73-4

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

C1COC2C(N1)COC3=CC=CC=C23

InChI

InChI=1S/C11H13NO2/c1-2-4-10-8(3-1)11-9(7-14-10)12-5-6-13-11/h1-4,9,11-12H,5-7H2

InChIKey

APGGCYIPVZEROY-UHFFFAOYSA-N

Compound name

2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 191.09464 Da
Monoisotopic Mass: 0.8
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]+	192.101916	137.8
[M+Na]+	214.083858	143.8
[M-H]-	190.087364	140.7
[M+NH4]+	209.128463	154.3
[M+K]+	230.057798	142.5
[M+H-H2O]+	174.091900	130.6
[M+HCOO]-	236.092841	151.3
[M+CH3COO]-	250.108491	149.4
[M+Na-2H]-	212.069306	147.5
[M]+	191.09409142	133.3
[M]-	191.09518858	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe