CID 178244328

1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)methyl]pyridin-1-ium

Structural Information

Molecular Formula
C11H10N2O2
SMILES
C1=CC=[N+](C(=C1)CC2=CC=CC=[N+]2[O-])[O-]
InChI
InChI=1S/C11H10N2O2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8H,9H2
InChIKey
XEUDHBPMDUAFCX-UHFFFAOYSA-N
Compound name
1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)methyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.07423 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.081506 146.4
[M+Na]+ 225.063448 154.0
[M-H]- 201.066954 148.2
[M+NH4]+ 220.108053 160.2
[M+K]+ 241.037388 140.9
[M+H-H2O]+ 185.071490 147.4
[M+HCOO]- 247.072431 166.8
[M+CH3COO]- 261.088081 167.9
[M+Na-2H]- 223.048896 156.9
[M]+ 202.07368142 141.3
[M]- 202.07477858 141.3
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.