CID 71683693

141815-05-6

Structural Information

Molecular Formula

C₉H₁₈N₂O

SMILES

C1CCN2CC(OCC2C1)CN

InChI

InChI=1S/C9H18N2O/c10-5-9-6-11-4-2-1-3-8(11)7-12-9/h8-9H,1-7,10H2

InChIKey

HGHFOXXRWZPFQQ-UHFFFAOYSA-N

Compound name

1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.1419 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]+	171.149176	138.3
[M+Na]+	193.131118	142.1
[M-H]-	169.134624	140.0
[M+NH4]+	188.175723	156.2
[M+K]+	209.105058	141.3
[M+H-H2O]+	153.139160	131.2
[M+HCOO]-	215.140101	153.8
[M+CH3COO]-	229.155751	180.5
[M+Na-2H]-	191.116566	144.0
[M]+	170.14135142	130.9
[M]-	170.14244858	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.