CID 146155635

2,5-dioxa-6-azaspiro[3.4]oct-6-ene-7-carbaldehyde

Structural Information

Molecular Formula
C6H7NO3
SMILES
C1C(=NOC12COC2)C=O
InChI
InChI=1S/C6H7NO3/c8-2-5-1-6(10-7-5)3-9-4-6/h2H,1,3-4H2
InChIKey
FBVKWKDOLHKTRZ-UHFFFAOYSA-N
Compound name
2,5-dioxa-6-azaspiro[3.4]oct-6-ene-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.04259 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.049866 114.9
[M+Na]+ 164.031808 122.4
[M-H]- 140.035314 120.9
[M+NH4]+ 159.076413 130.1
[M+K]+ 180.005748 127.2
[M+H-H2O]+ 124.039850 105.9
[M+HCOO]- 186.040791 135.8
[M+CH3COO]- 200.056441 172.5
[M+Na-2H]- 162.017256 125.0
[M]+ 141.04204142 125.2
[M]- 141.04313858 125.2
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.