CID 167070

2-chloro-1-methylpyridinium iodide

Structural Information

Molecular Formula
C6H7ClN
SMILES
C[N+]1=CC=CC=C1Cl
InChI
InChI=1S/C6H7ClN/c1-8-5-3-2-4-6(8)7/h2-5H,1H3/q+1
InChIKey
ZNPNOVHKCAAQCG-UHFFFAOYSA-N
Compound name
2-chloro-1-methylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

15938
Patents

128.0267 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.03398 120.0
[M+Na]+ 151.01592 130.2
[M-H]- 127.01942 122.8
[M+NH4]+ 146.06052 141.7
[M+K]+ 166.98986 122.0
[M+H-H2O]+ 111.02396 118.0
[M+HCOO]- 173.02490 139.3
[M+CH3COO]- 187.04055 163.6
[M+Na-2H]- 149.00137 131.0
[M]+ 128.02615 120.3
[M]- 128.02725 120.3
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