CID 200604

1,4-dimethylpyridinium iodide

Structural Information

Molecular Formula
C7H10N
SMILES
CC1=CC=[N+](C=C1)C
InChI
InChI=1S/C7H10N/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3/q+1
InChIKey
IZPNVUYQWBZYEA-UHFFFAOYSA-N
Compound name
1,4-dimethylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

1485
Patents

108.08132 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.08860 118.9
[M+Na]+ 131.07054 128.2
[M-H]- 107.07404 122.1
[M+NH4]+ 126.11514 140.8
[M+K]+ 147.04448 121.6
[M+H-H2O]+ 91.078580 116.2
[M+HCOO]- 153.07952 142.7
[M+CH3COO]- 167.09517 162.7
[M+Na-2H]- 129.05599 130.0
[M]+ 108.08077 117.9
[M]- 108.08187 117.9
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

patents stripe