CID 141536416

2,5-dioxa-7-azaspiro[3.4]octan-6-one

Structural Information

Molecular Formula
C5H7NO3
SMILES
C1C2(COC2)OC(=O)N1
InChI
InChI=1S/C5H7NO3/c7-4-6-1-5(9-4)2-8-3-5/h1-3H2,(H,6,7)
InChIKey
AQXLOGOGIPNVMX-UHFFFAOYSA-N
Compound name
2,5-dioxa-7-azaspiro[3.4]octan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

129.04259 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.049866 113.6
[M+Na]+ 152.031808 120.0
[M-H]- 128.035314 118.0
[M+NH4]+ 147.076413 128.4
[M+K]+ 168.005748 124.3
[M+H-H2O]+ 112.039850 104.9
[M+HCOO]- 174.040791 131.9
[M+CH3COO]- 188.056441 167.4
[M+Na-2H]- 150.017256 122.7
[M]+ 129.04204142 120.3
[M]- 129.04313858 120.3
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

patents stripe