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]+ 142.04987 114.9
[M+Na]+ 164.03181 122.4
[M-H]- 140.03531 120.9
[M+NH4]+ 159.07641 130.1
[M+K]+ 180.00575 127.2
[M+H-H2O]+ 124.03985 105.9
[M+HCOO]- 186.04079 135.8
[M+CH3COO]- 200.05644 172.5
[M+Na-2H]- 162.01726 125.0
[M]+ 141.04204 125.2
[M]- 141.04314 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.