CID 21634102

2-azaspiro[4.4]nonan-1-one

Structural Information

Molecular Formula
C8H13NO
SMILES
C1CCC2(C1)CCNC2=O
InChI
InChI=1S/C8H13NO/c10-7-8(5-6-9-7)3-1-2-4-8/h1-6H2,(H,9,10)
InChIKey
QLBOURVDEBOSCJ-UHFFFAOYSA-N
Compound name
2-azaspiro[4.4]nonan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

57
Patents

139.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 132.0
[M+Na]+ 162.088938 138.4
[M-H]- 138.092444 134.6
[M+NH4]+ 157.133543 157.0
[M+K]+ 178.062878 136.2
[M+H-H2O]+ 122.096980 126.6
[M+HCOO]- 184.097921 151.7
[M+CH3COO]- 198.113571 166.9
[M+Na-2H]- 160.074386 135.2
[M]+ 139.09917142 125.1
[M]- 139.10026858 125.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe