CID 75525773

2-{1,4-dioxaspiro[4.5]decan-8-yl}-2-hydroxyacetonitrile

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

C1CC2(CCC1C(C#N)O)OCCO2

InChI

InChI=1S/C10H15NO3/c11-7-9(12)8-1-3-10(4-2-8)13-5-6-14-10/h8-9,12H,1-6H2

InChIKey

BTYPCXGSSQRXME-UHFFFAOYSA-N

Compound name

2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxyacetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.1052 Da
Monoisotopic Mass: 0.3
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]+	198.112476	140.3
[M+Na]+	220.094418	148.0
[M-H]-	196.097924	144.2
[M+NH4]+	215.139023	158.0
[M+K]+	236.068358	145.7
[M+H-H2O]+	180.102460	128.8
[M+HCOO]-	242.103401	153.2
[M+CH3COO]-	256.119051	190.0
[M+Na-2H]-	218.079866	145.2
[M]+	197.10465142	131.4
[M]-	197.10574858	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.