CID 11008150

76272-56-5

Structural Information

Molecular Formula

C₉H₁₈N₂

SMILES

CN1[C@@H]2CCC[C@H]1CC(C2)N

InChI

InChI=1S/C9H18N2/c1-11-8-3-2-4-9(11)6-7(10)5-8/h7-9H,2-6,10H2,1H3/t7?,8-,9+

InChIKey

HTZWHTQVHWHSHN-CBLAIPOGSA-N

Compound name

(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 335
Patents: 154.147 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]+	155.154276	135.0
[M+Na]+	177.136218	140.2
[M-H]-	153.139724	135.3
[M+NH4]+	172.180823	156.1
[M+K]+	193.110158	138.0
[M+H-H2O]+	137.144260	129.0
[M+HCOO]-	199.145201	151.1
[M+CH3COO]-	213.160851	180.8
[M+Na-2H]-	175.121666	140.3
[M]+	154.14645142	128.0
[M]-	154.14754858	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe