CID 4521251

1-propyl-4-methylpyridinium bromide

Structural Information

Molecular Formula
C9H14N
SMILES
CCC[N+]1=CC=C(C=C1)C
InChI
InChI=1S/C9H14N/c1-3-6-10-7-4-9(2)5-8-10/h4-5,7-8H,3,6H2,1-2H3/q+1
InChIKey
CBCJWJVPFPANIA-UHFFFAOYSA-N
Compound name
4-methyl-1-propylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

232
Patents

136.11263 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.11991 128.5
[M+Na]+ 159.10185 137.0
[M-H]- 135.10535 131.4
[M+NH4]+ 154.14645 149.3
[M+K]+ 175.07579 129.9
[M+H-H2O]+ 119.10989 125.3
[M+HCOO]- 181.11083 151.6
[M+CH3COO]- 195.12648 168.8
[M+Na-2H]- 157.08730 138.5
[M]+ 136.11208 128.2
[M]- 136.11318 128.2
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