CID 4961799

2-azaspiro[4.4]nonane-1,3-dione

Structural Information

Molecular Formula
C8H11NO2
SMILES
C1CCC2(C1)CC(=O)NC2=O
InChI
InChI=1S/C8H11NO2/c10-6-5-8(7(11)9-6)3-1-2-4-8/h1-5H2,(H,9,10,11)
InChIKey
BGTYXSMQJAWTJV-UHFFFAOYSA-N
Compound name
2-azaspiro[4.4]nonane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

996
Patents

153.07898 Da
Monoisotopic Mass

0.4
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

literature stripe

Patent stripe

patents stripe