CID 54002151

1-azaspiro[4.4]nonane-2,4-dione

Structural Information

Molecular Formula
C8H11NO2
SMILES
C1CCC2(C1)C(=O)CC(=O)N2
InChI
InChI=1S/C8H11NO2/c10-6-5-7(11)9-8(6)3-1-2-4-8/h1-5H2,(H,9,11)
InChIKey
KMIONWVQOSNSSZ-UHFFFAOYSA-N
Compound name
1-azaspiro[4.4]nonane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

153.07898 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 133.1
[M+Na]+ 176.068198 140.6
[M-H]- 152.071704 136.1
[M+NH4]+ 171.112803 157.7
[M+K]+ 192.042138 138.2
[M+H-H2O]+ 136.076240 128.1
[M+HCOO]- 198.077181 153.2
[M+CH3COO]- 212.092831 169.1
[M+Na-2H]- 174.053646 135.9
[M]+ 153.07843142 127.4
[M]- 153.07952858 127.4
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

patents stripe