CID 53395326

1246650-98-5

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₃

SMILES

CC(C)(C)OC(=O)N1CCC2C(C1)NCCO2

InChI

InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-6-4-10-9(8-14)13-5-7-16-10/h9-10,13H,4-8H2,1-3H3

InChIKey

FHFUKPWBTBBQNW-UHFFFAOYSA-N

Compound name

tert-butyl 2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 242.16304 Da
Monoisotopic Mass: 0.6
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]+	243.170316	158.8
[M+Na]+	265.152258	162.3
[M-H]-	241.155764	158.2
[M+NH4]+	260.196863	172.4
[M+K]+	281.126198	161.7
[M+H-H2O]+	225.160300	151.5
[M+HCOO]-	287.161241	168.1
[M+CH3COO]-	301.176891	188.3
[M+Na-2H]-	263.137706	162.8
[M]+	242.16249142	153.8
[M]-	242.16358858	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe