CID 125511759

7-amino-5-oxa-6-azaspiro[2.4]hept-6-en-4-one

Structural Information

Molecular Formula
C5H6N2O2
SMILES
C1CC12C(=NOC2=O)N
InChI
InChI=1S/C5H6N2O2/c6-3-5(1-2-5)4(8)9-7-3/h1-2H2,(H2,6,7)
InChIKey
CFQBKKQWOBXSLV-UHFFFAOYSA-N
Compound name
7-amino-5-oxa-6-azaspiro[2.4]hept-6-en-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.04293 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.050206 123.8
[M+Na]+ 149.032148 135.6
[M-H]- 125.035654 130.2
[M+NH4]+ 144.076753 142.2
[M+K]+ 165.006088 134.7
[M+H-H2O]+ 109.040190 118.7
[M+HCOO]- 171.041131 147.3
[M+CH3COO]- 185.056781 172.9
[M+Na-2H]- 147.017596 132.1
[M]+ 126.04238142 125.9
[M]- 126.04347858 125.9
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.