CID 59558472

5-azaspiro[3.5]nonane-6,8-dione

Structural Information

Molecular Formula
C8H11NO2
SMILES
C1CC2(C1)CC(=O)CC(=O)N2
InChI
InChI=1S/C8H11NO2/c10-6-4-7(11)9-8(5-6)2-1-3-8/h1-5H2,(H,9,11)
InChIKey
BFCONXUGYCTDLJ-UHFFFAOYSA-N
Compound name
5-azaspiro[3.5]nonane-6,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

153.07898 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 128.5
[M+Na]+ 176.06820 134.2
[M-H]- 152.07170 131.2
[M+NH4]+ 171.11280 143.2
[M+K]+ 192.04214 135.1
[M+H-H2O]+ 136.07624 118.5
[M+HCOO]- 198.07718 145.4
[M+CH3COO]- 212.09283 174.6
[M+Na-2H]- 174.05365 134.5
[M]+ 153.07843 131.2
[M]- 153.07953 131.2
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