CID 57356967

959617-89-1

Structural Information

Molecular Formula
C7H5NO3
SMILES
C1OC2=C(O1)C=NC(=C2)C=O
InChI
InChI=1S/C7H5NO3/c9-3-5-1-6-7(2-8-5)11-4-10-6/h1-3H,4H2
InChIKey
QSTBMCKJPCZQAG-UHFFFAOYSA-N
Compound name
[1,3]dioxolo[4,5-c]pyridine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

151.02695 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.03423 124.1
[M+Na]+ 174.01617 134.1
[M-H]- 150.01967 129.0
[M+NH4]+ 169.06077 144.3
[M+K]+ 189.99011 135.0
[M+H-H2O]+ 134.02421 118.7
[M+HCOO]- 196.02515 146.3
[M+CH3COO]- 210.04080 172.2
[M+Na-2H]- 172.00162 134.0
[M]+ 151.02640 127.2
[M]- 151.02750 127.2
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

patents stripe