CID 3599605

1-ethyl-3-methylpyridinium

Structural Information

Molecular Formula
C8H12N
SMILES
CC[N+]1=CC=CC(=C1)C
InChI
InChI=1S/C8H12N/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3/q+1
InChIKey
REITYCXGQIGALX-UHFFFAOYSA-N
Compound name
1-ethyl-3-methylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1132
Patents

122.09698 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.10426 123.7
[M+Na]+ 145.08620 132.6
[M-H]- 121.08970 126.7
[M+NH4]+ 140.13080 145.0
[M+K]+ 161.06014 125.7
[M+H-H2O]+ 105.09424 120.8
[M+HCOO]- 167.09518 147.2
[M+CH3COO]- 181.11083 165.7
[M+Na-2H]- 143.07165 134.2
[M]+ 122.09643 123.0
[M]- 122.09753 123.0
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