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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11248 140.3
[M+Na]+ 220.09442 148.0
[M-H]- 196.09792 144.2
[M+NH4]+ 215.13902 158.0
[M+K]+ 236.06836 145.7
[M+H-H2O]+ 180.10246 128.8
[M+HCOO]- 242.10340 153.2
[M+CH3COO]- 256.11905 190.0
[M+Na-2H]- 218.07987 145.2
[M]+ 197.10465 131.4
[M]- 197.10575 131.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.