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

1
Patents

153.07898 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 133.1
[M+Na]+ 176.06820 140.6
[M-H]- 152.07170 136.1
[M+NH4]+ 171.11280 157.7
[M+K]+ 192.04214 138.2
[M+H-H2O]+ 136.07624 128.1
[M+HCOO]- 198.07718 153.2
[M+CH3COO]- 212.09283 169.1
[M+Na-2H]- 174.05365 135.9
[M]+ 153.07843 127.4
[M]- 153.07953 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