CID 255069

4-chloro-3-methylpyridin-1-ium-1-olate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

143.0138 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02108 123.8
[M+Na]+ 166.00302 134.3
[M-H]- 142.00652 125.2
[M+NH4]+ 161.04762 144.4
[M+K]+ 181.97696 126.6
[M+H-H2O]+ 126.01106 124.2
[M+HCOO]- 188.01200 142.8
[M+CH3COO]- 202.02765 163.4
[M+Na-2H]- 163.98847 133.0
[M]+ 143.01325 123.6
[M]- 143.01435 123.6
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

patents stripe