CID 318093

8a-cyano-2-decalone ethylene ketal

Structural Information

Molecular Formula
C13H19NO2
SMILES
C1CCC2(CC3(CCC2C1)OCCO3)C#N
InChI
InChI=1S/C13H19NO2/c14-10-12-5-2-1-3-11(12)4-6-13(9-12)15-7-8-16-13/h11H,1-9H2
InChIKey
XDZWVZVEAHGFPL-UHFFFAOYSA-N
Compound name
spiro[1,2,3,4,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-4a-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 155.6
[M+Na]+ 244.13081 164.7
[M+NH4]+ 239.17541 164.0
[M+K]+ 260.10475 153.8
[M-H]- 220.13431 153.3
[M+Na-2H]- 242.11626 157.9
[M]+ 221.14104 155.6
[M]- 221.14214 155.6
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.