CID 69688

2,3-pyridinedicarboxylic anhydride

Structural Information

Molecular Formula
C7H3NO3
SMILES
C1=CC2=C(C(=O)OC2=O)N=C1
InChI
InChI=1S/C7H3NO3/c9-6-4-2-1-3-8-5(4)7(10)11-6/h1-3H
InChIKey
MCQOWYALZVKMAR-UHFFFAOYSA-N
Compound name
furo[3,4-b]pyridine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

2602
Patents

149.01129 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.018566 122.5
[M+Na]+ 172.000508 133.6
[M-H]- 148.004014 127.2
[M+NH4]+ 167.045113 144.3
[M+K]+ 187.974448 133.0
[M+H-H2O]+ 132.008550 117.2
[M+HCOO]- 194.009491 145.9
[M+CH3COO]- 208.025141 172.3
[M+Na-2H]- 169.985956 131.1
[M]+ 149.01074142 124.7
[M]- 149.01183858 124.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe