CID 13431622

100704-06-1

Structural Information

Molecular Formula
C6H6ClNO
SMILES
CC1=C([N+](=CC=C1)[O-])Cl
InChI
InChI=1S/C6H6ClNO/c1-5-3-2-4-8(9)6(5)7/h2-4H,1H3
InChIKey
ZGHMADNNOPPAJO-UHFFFAOYSA-N
Compound name
2-chloro-3-methyl-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

143.0138 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02108 122.1
[M+Na]+ 166.00302 139.1
[M+NH4]+ 161.04762 132.2
[M+K]+ 181.97696 133.7
[M-H]- 142.00652 125.6
[M+Na-2H]- 163.98847 130.4
[M]+ 143.01325 125.9
[M]- 143.01435 125.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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