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

15
Patents

151.02695 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.034226 124.1
[M+Na]+ 174.016168 134.1
[M-H]- 150.019674 129.0
[M+NH4]+ 169.060773 144.3
[M+K]+ 189.990108 135.0
[M+H-H2O]+ 134.024210 118.7
[M+HCOO]- 196.025151 146.3
[M+CH3COO]- 210.040801 172.2
[M+Na-2H]- 172.001616 134.0
[M]+ 151.02640142 127.2
[M]- 151.02749858 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