CID 9855588

145012-50-6

Structural Information

Molecular Formula

C₉H₁₈N₂O

SMILES

C1C[C@@H](CN2[C@@H]1CNCC2)CO

InChI

InChI=1S/C9H18N2O/c12-7-8-1-2-9-5-10-3-4-11(9)6-8/h8-10,12H,1-7H2/t8-,9-/m0/s1

InChIKey

IUKDDYAECHPPRM-IUCAKERBSA-N

Compound name

[(7S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-7-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 170.1419 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]+	171.149176	140.5
[M+Na]+	193.131118	144.2
[M-H]-	169.134624	137.9
[M+NH4]+	188.175723	157.5
[M+K]+	209.105058	141.1
[M+H-H2O]+	153.139160	133.4
[M+HCOO]-	215.140101	152.2
[M+CH3COO]-	229.155751	174.0
[M+Na-2H]-	191.116566	145.0
[M]+	170.14135142	131.1
[M]-	170.14244858	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe