CID 176398

1-propylpyridinium bromide

Structural Information

Molecular Formula
C8H12N
SMILES
CCC[N+]1=CC=CC=C1
InChI
InChI=1S/C8H12N/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3/q+1
InChIKey
CRTKBIFIDSNKCN-UHFFFAOYSA-N
Compound name
1-propylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2727
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 124.5
[M+Na]+ 145.08620 132.4
[M-H]- 121.08970 127.1
[M+NH4]+ 140.13080 145.4
[M+K]+ 161.06014 125.6
[M+H-H2O]+ 105.09424 121.2
[M+HCOO]- 167.09518 147.9
[M+CH3COO]- 181.11083 164.7
[M+Na-2H]- 143.07165 135.6
[M]+ 122.09643 123.4
[M]- 122.09753 123.4
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