CID 15155

6-azaspiro[3.4]octane-5,7-dione

Structural Information

Molecular Formula
C7H9NO2
SMILES
C1CC2(C1)CC(=O)NC2=O
InChI
InChI=1S/C7H9NO2/c9-5-4-7(2-1-3-7)6(10)8-5/h1-4H2,(H,8,9,10)
InChIKey
JIGMIHMXIINUHH-UHFFFAOYSA-N
Compound name
6-azaspiro[3.4]octane-5,7-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

139.06332 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 123.8
[M+Na]+ 162.052538 130.6
[M-H]- 138.056044 127.1
[M+NH4]+ 157.097143 140.9
[M+K]+ 178.026478 131.4
[M+H-H2O]+ 122.060580 114.8
[M+HCOO]- 184.061521 143.1
[M+CH3COO]- 198.077171 171.3
[M+Na-2H]- 160.037986 129.0
[M]+ 139.06277142 128.3
[M]- 139.06386858 128.3
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.