CID 18670438

2060009-09-6

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

C1CC2CNCC(C1)C2CC(=O)O

InChI

InChI=1S/C10H17NO2/c12-10(13)4-9-7-2-1-3-8(9)6-11-5-7/h7-9,11H,1-6H2,(H,12,13)

InChIKey

VWBATMINPAEKSP-UHFFFAOYSA-N

Compound name

2-(3-azabicyclo[3.3.1]nonan-9-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 183.12593 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]+	184.133206	141.7
[M+Na]+	206.115148	145.3
[M-H]-	182.118654	139.1
[M+NH4]+	201.159753	160.1
[M+K]+	222.089088	142.3
[M+H-H2O]+	166.123190	135.9
[M+HCOO]-	228.124131	153.5
[M+CH3COO]-	242.139781	177.6
[M+Na-2H]-	204.100596	145.7
[M]+	183.12538142	134.2
[M]-	183.12647858	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe