CID 131102061

2-(cyclopentyloxy)pyridin-1-ium-1-olate

Structural Information

Molecular Formula
C10H13NO2
SMILES
C1CCC(C1)OC2=CC=CC=[N+]2[O-]
InChI
InChI=1S/C10H13NO2/c12-11-8-4-3-7-10(11)13-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2
InChIKey
IUEZWUYWMKZRKA-UHFFFAOYSA-N
Compound name
2-cyclopentyloxy-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.09464 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 137.6
[M+Na]+ 202.08386 151.2
[M+NH4]+ 197.12846 147.0
[M+K]+ 218.05780 148.2
[M-H]- 178.08736 141.9
[M+Na-2H]- 200.06931 144.9
[M]+ 179.09409 140.7
[M]- 179.09519 140.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.