CID 17310

1,2,6-trimethylpyridinium iodide

Structural Information

Molecular Formula
C8H12N
SMILES
CC1=[N+](C(=CC=C1)C)C
InChI
InChI=1S/C8H12N/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3/q+1
InChIKey
ZINLZPLHQBBPEI-UHFFFAOYSA-N
Compound name
1,2,6-trimethylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

122.09698 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.10426 122.8
[M+Na]+ 145.08620 132.7
[M-H]- 121.08970 126.2
[M+NH4]+ 140.13080 144.5
[M+K]+ 161.06014 125.8
[M+H-H2O]+ 105.09424 120.1
[M+HCOO]- 167.09518 146.3
[M+CH3COO]- 181.11083 166.8
[M+Na-2H]- 143.07165 132.7
[M]+ 122.09643 122.5
[M]- 122.09753 122.5
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