CID 272124

Nsc116363

Structural Information

Molecular Formula
C7H5NO3
SMILES
C1C2=C(C=[N+](C=C2)[O-])C(=O)O1
InChI
InChI=1S/C7H5NO3/c9-7-6-3-8(10)2-1-5(6)4-11-7/h1-3H,4H2
InChIKey
PRZJELREWCDAMZ-UHFFFAOYSA-N
Compound name
5-oxido-1H-furo[3,4-c]pyridin-5-ium-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.02695 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.03423 125.5
[M+Na]+ 174.01617 135.4
[M-H]- 150.01967 128.8
[M+NH4]+ 169.06077 146.1
[M+K]+ 189.99011 130.0
[M+H-H2O]+ 134.02421 125.1
[M+HCOO]- 196.02515 147.6
[M+CH3COO]- 210.04080 163.2
[M+Na-2H]- 172.00162 135.6
[M]+ 151.02640 124.5
[M]- 151.02750 124.5
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.