CID 137935480

2248209-43-8

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

C1CCN2[C@H](C1)COC[C@@]23CNCCOC3

InChI

InChI=1S/C12H22N2O2/c1-2-5-14-11(3-1)7-16-10-12(14)8-13-4-6-15-9-12/h11,13H,1-10H2/t11-,12+/m1/s1

InChIKey

XUHBHDUGFFWFGC-NEPJUHHUSA-N

Compound name

(6S,9'aR)-spiro[1,4-oxazepane-6,4'-3,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.16812 Da
Monoisotopic Mass: -0.1
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]+	227.175396	149.4
[M+Na]+	249.157338	150.5
[M-H]-	225.160844	151.8
[M+NH4]+	244.201943	162.7
[M+K]+	265.131278	152.4
[M+H-H2O]+	209.165380	140.3
[M+HCOO]-	271.166321	157.0
[M+CH3COO]-	285.181971	157.6
[M+Na-2H]-	247.142786	155.1
[M]+	226.16757142	136.7
[M]-	226.16866858	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.