CID 90430723

1628605-13-9

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

CN1CCO[C@H]2[C@@H]1CNCC2

InChI

InChI=1S/C8H16N2O/c1-10-4-5-11-8-2-3-9-6-7(8)10/h7-9H,2-6H2,1H3/t7-,8+/m0/s1

InChIKey

PDUWHSJPAWBJMF-JGVFFNPUSA-N

Compound name

(4aS,8aR)-4-methyl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 156.12627 Da
Monoisotopic Mass: -0.3
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]+	157.13355	135.7
[M+Na]+	179.11549	146.6
[M+NH4]+	174.16009	144.5
[M+K]+	195.08943	140.8
[M-H]-	155.11899	138.1
[M+Na-2H]-	177.10094	138.9
[M]+	156.12572	137.7
[M]-	156.12682	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe