CID 3058543

Pan-w-14

Structural Information

Molecular Formula
C11H11IN2O
SMILES
C1C=CC=C(N1[O-])C[N+]2=CC=CC=C2I
InChI
InChI=1S/C11H11IN2O/c12-11-6-2-3-7-13(11)9-10-5-1-4-8-14(10)15/h1-7H,8-9H2
InChIKey
LEOXUHKMJCNMGX-UHFFFAOYSA-N
Compound name
2-iodo-1-[(1-oxido-2H-pyridin-6-yl)methyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.9916 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.99888 152.6
[M+Na]+ 336.98082 161.2
[M+NH4]+ 332.02542 157.3
[M+K]+ 352.95476 158.6
[M-H]- 312.98432 151.1
[M+Na-2H]- 334.96627 149.1
[M]+ 313.99105 152.5
[M]- 313.99215 152.5
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.