CID 131535757

2230802-71-6

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

C1CNCCC12CC2(CO)C#N

InChI

InChI=1S/C9H14N2O/c10-6-9(7-12)5-8(9)1-3-11-4-2-8/h11-12H,1-5,7H2

InChIKey

DEFSEEQXSODAPT-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)-6-azaspiro[2.5]octane-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.11061 Da
Monoisotopic Mass: -0.6
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]+	167.117886	137.1
[M+Na]+	189.099828	151.7
[M-H]-	165.103334	141.4
[M+NH4]+	184.144433	154.4
[M+K]+	205.073768	144.5
[M+H-H2O]+	149.107870	129.1
[M+HCOO]-	211.108811	152.4
[M+CH3COO]-	225.124461	187.7
[M+Na-2H]-	187.085276	145.8
[M]+	166.11006142	131.6
[M]-	166.11115858	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.