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]+ 130.04987 121.7
[M+Na]+ 152.03181 127.0
[M+NH4]+ 147.07641 126.8
[M+K]+ 168.00575 125.8
[M-H]- 128.03531 121.5
[M+Na-2H]- 150.01726 123.8
[M]+ 129.04204 121.1
[M]- 129.04314 121.1
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