CID 495827

Nsc669722

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

C1CCN2CC(C(C(C2C1)O)O)O

InChI

InChI=1S/C9H17NO3/c11-7-5-10-4-2-1-3-6(10)8(12)9(7)13/h6-9,11-13H,1-5H2

InChIKey

MBSUOCBPGKTHFN-UHFFFAOYSA-N

Compound name

2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 187.12085 Da
Monoisotopic Mass: -0.9
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]+	188.128126	141.8
[M+Na]+	210.110068	146.9
[M-H]-	186.113574	140.1
[M+NH4]+	205.154673	159.3
[M+K]+	226.084008	144.1
[M+H-H2O]+	170.118110	136.3
[M+HCOO]-	232.119051	153.6
[M+CH3COO]-	246.134701	175.5
[M+Na-2H]-	208.095516	144.7
[M]+	187.12030142	133.8
[M]-	187.12139858	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.