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]+ 127.05021 123.8
[M+Na]+ 149.03215 135.6
[M-H]- 125.03565 130.2
[M+NH4]+ 144.07675 142.2
[M+K]+ 165.00609 134.7
[M+H-H2O]+ 109.04019 118.7
[M+HCOO]- 171.04113 147.3
[M+CH3COO]- 185.05678 172.9
[M+Na-2H]- 147.01760 132.1
[M]+ 126.04238 125.9
[M]- 126.04348 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.