CID 101942170

Cis-dihydrohomoanatoxin-a

Structural Information

Molecular Formula

C₁₁H₁₉NO

SMILES

CCC(=O)[C@H]1CCC[C@@H]2CC[C@H]1N2

InChI

InChI=1S/C11H19NO/c1-2-11(13)9-5-3-4-8-6-7-10(9)12-8/h8-10,12H,2-7H2,1H3/t8-,9+,10-/m1/s1

InChIKey

MVXJVRNMGNXROR-KXUCPTDWSA-N

Compound name

1-[(1R,2S,6R)-9-azabicyclo[4.2.1]nonan-2-yl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 181.14667 Da
Monoisotopic Mass: 1.4
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]+	182.153946	140.2
[M+Na]+	204.135888	143.5
[M-H]-	180.139394	140.9
[M+NH4]+	199.180493	160.0
[M+K]+	220.109828	143.7
[M+H-H2O]+	164.143930	135.0
[M+HCOO]-	226.144871	154.9
[M+CH3COO]-	240.160521	182.5
[M+Na-2H]-	202.121336	142.4
[M]+	181.14612142	132.7
[M]-	181.14721858	132.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.