CID 95999

1012-35-7

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CC(=O)N1C(=O)NC(=O)C12CCCC2
InChI
InChI=1S/C9H12N2O3/c1-6(12)11-8(14)10-7(13)9(11)4-2-3-5-9/h2-5H2,1H3,(H,10,13,14)
InChIKey
ZKYOZCXGILTYOW-UHFFFAOYSA-N
Compound name
1-acetyl-1,3-diazaspiro[4.4]nonane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0848 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 142.8
[M+Na]+ 219.07402 150.7
[M-H]- 195.07752 144.8
[M+NH4]+ 214.11862 164.5
[M+K]+ 235.04796 148.6
[M+H-H2O]+ 179.08206 137.3
[M+HCOO]- 241.08300 160.6
[M+CH3COO]- 255.09865 177.6
[M+Na-2H]- 217.05947 143.3
[M]+ 196.08425 138.5
[M]- 196.08535 138.5
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

No patent data available for this compound.