CID 147326685

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

Structural Information

Molecular Formula
C5H7NO3
SMILES
C1C2(CO1)COC(=O)N2
InChI
InChI=1S/C5H7NO3/c7-4-6-5(3-9-4)1-8-2-5/h1-3H2,(H,6,7)
InChIKey
DAWACJOPQDWBME-UHFFFAOYSA-N
Compound name
2,7-dioxa-5-azaspiro[3.4]octan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.04259 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04987 113.6
[M+Na]+ 152.03181 120.0
[M-H]- 128.03531 118.0
[M+NH4]+ 147.07641 128.4
[M+K]+ 168.00575 124.3
[M+H-H2O]+ 112.03985 104.9
[M+HCOO]- 174.04079 131.9
[M+CH3COO]- 188.05644 167.4
[M+Na-2H]- 150.01726 122.7
[M]+ 129.04204 120.3
[M]- 129.04314 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

No patent data available for this compound.