CID 131341261

1-oxa-8-azaspiro[4.5]decane-4-carbonitrilehydrochloride

Structural Information

Molecular Formula
C9H14N2O
SMILES
C1COC2(C1C#N)CCNCC2
InChI
InChI=1S/C9H14N2O/c10-7-8-1-6-12-9(8)2-4-11-5-3-9/h8,11H,1-6H2
InChIKey
HEFYFHHDEMSWCA-UHFFFAOYSA-N
Compound name
1-oxa-8-azaspiro[4.5]decane-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.11061 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.11789 140.6
[M+Na]+ 189.09983 149.7
[M+NH4]+ 184.14443 146.9
[M+K]+ 205.07377 141.0
[M-H]- 165.10333 135.9
[M+Na-2H]- 187.08528 143.0
[M]+ 166.11006 139.6
[M]- 166.11116 139.6
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.