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]+ 152.034226 125.5
[M+Na]+ 174.016168 135.4
[M-H]- 150.019674 128.8
[M+NH4]+ 169.060773 146.1
[M+K]+ 189.990108 130.0
[M+H-H2O]+ 134.024210 125.1
[M+HCOO]- 196.025151 147.6
[M+CH3COO]- 210.040801 163.2
[M+Na-2H]- 172.001616 135.6
[M]+ 151.02640142 124.5
[M]- 151.02749858 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.