CID 131341261

1-oxa-8-azaspiro[4.5]decane-4-carbonitrile hydrochloride

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 133.8
[M+Na]+ 189.09983 141.8
[M-H]- 165.10333 135.8
[M+NH4]+ 184.14443 152.6
[M+K]+ 205.07377 137.7
[M+H-H2O]+ 149.10787 121.1
[M+HCOO]- 211.10881 147.1
[M+CH3COO]- 225.12446 144.5
[M+Na-2H]- 187.08528 139.1
[M]+ 166.11006 122.3
[M]- 166.11116 122.3
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.