CID 130138944

2-oxa-6-azaspiro[3.4]octan-5-one

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1CNC(=O)C12COC2
InChI
InChI=1S/C6H9NO2/c8-5-6(1-2-7-5)3-9-4-6/h1-4H2,(H,7,8)
InChIKey
YWHFSCDSKMBELA-UHFFFAOYSA-N
Compound name
2-oxa-6-azaspiro[3.4]octan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

127.06333 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 123.7
[M+Na]+ 150.05255 128.9
[M+NH4]+ 145.09715 129.3
[M+K]+ 166.02649 126.6
[M-H]- 126.05605 122.7
[M+Na-2H]- 148.03800 126.4
[M]+ 127.06278 122.8
[M]- 127.06388 122.8
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