CID 3711856

1-ethyl-4-methylpyridinium bromide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

548
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

No literature data available for this compound.

Patent stripe

patents stripe