CID 47003584

1240527-74-5

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

C1CC2CNCC(C1)C2C(=O)O

InChI

InChI=1S/C9H15NO2/c11-9(12)8-6-2-1-3-7(8)5-10-4-6/h6-8,10H,1-5H2,(H,11,12)

InChIKey

VLRYOFORWCUUGY-UHFFFAOYSA-N

Compound name

3-azabicyclo[3.3.1]nonane-9-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 169.11028 Da
Monoisotopic Mass: -1.6
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]+	170.11756	137.1
[M+Na]+	192.09950	141.2
[M-H]-	168.10300	134.8
[M+NH4]+	187.14410	156.1
[M+K]+	208.07344	138.5
[M+H-H2O]+	152.10754	131.6
[M+HCOO]-	214.10848	149.3
[M+CH3COO]-	228.12413	174.5
[M+Na-2H]-	190.08495	141.7
[M]+	169.10973	129.3
[M]-	169.11083	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe