CID 132349303

2138564-74-4

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

C1C(CC12CNCC2C#N)C(=O)O

InChI

InChI=1S/C9H12N2O2/c10-3-7-4-11-5-9(7)1-6(2-9)8(12)13/h6-7,11H,1-2,4-5H2,(H,12,13)

InChIKey

BLMGNDGADNHVHS-UHFFFAOYSA-N

Compound name

8-cyano-6-azaspiro[3.4]octane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 180.08987 Da
Monoisotopic Mass: -2.8
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]+	181.097146	136.3
[M+Na]+	203.079088	143.3
[M-H]-	179.082594	137.7
[M+NH4]+	198.123693	149.5
[M+K]+	219.053028	143.1
[M+H-H2O]+	163.087130	120.6
[M+HCOO]-	225.088071	149.5
[M+CH3COO]-	239.103721	190.1
[M+Na-2H]-	201.064536	138.9
[M]+	180.08932142	134.4
[M]-	180.09041858	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.