CID 411955

N-(2,5-dihydroxyphenyl)pyridinium(1+)

Structural Information

Molecular Formula
C11H10NO2
SMILES
C1=CC=[N+](C=C1)C2=C(C=CC(=C2)O)O
InChI
InChI=1S/C11H9NO2/c13-9-4-5-11(14)10(8-9)12-6-2-1-3-7-12/h1-8H,(H-,13,14)/p+1
InChIKey
BYQQTWROSPBRIU-UHFFFAOYSA-O
Compound name
2-pyridin-1-ium-1-ylbenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

188.07115 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.07843 140.0
[M+Na]+ 211.06037 148.7
[M-H]- 187.06387 143.7
[M+NH4]+ 206.10497 156.8
[M+K]+ 227.03431 139.1
[M+H-H2O]+ 171.06841 135.8
[M+HCOO]- 233.06935 161.2
[M+CH3COO]- 247.08500 170.1
[M+Na-2H]- 209.04582 149.6
[M]+ 188.07060 137.3
[M]- 188.07170 137.3
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

patents stripe