CID 122163475

1909294-56-9

Structural Information

Molecular Formula

C₇H₁₂N₂O₂

SMILES

C1CNC[C@@H]2[C@@H]1COC(=O)N2

InChI

InChI=1S/C7H12N2O2/c10-7-9-6-3-8-2-1-5(6)4-11-7/h5-6,8H,1-4H2,(H,9,10)/t5-,6+/m0/s1

InChIKey

RPIGKXDVVZPVFB-NTSWFWBYSA-N

Compound name

(4aR,8aS)-1,4,4a,5,6,7,8,8a-octahydropyrido[3,4-d][1,3]oxazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 156.08987 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]+	157.097146	133.2
[M+Na]+	179.079088	138.2
[M-H]-	155.082594	131.6
[M+NH4]+	174.123693	149.4
[M+K]+	195.053028	136.3
[M+H-H2O]+	139.087130	126.3
[M+HCOO]-	201.088071	145.1
[M+CH3COO]-	215.103721	143.7
[M+Na-2H]-	177.064536	139.6
[M]+	156.08932142	124.5
[M]-	156.09041858	124.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe