CID 5128450

1-butyl-4-methylpyridinium chloride

Structural Information

Molecular Formula
C10H16N
SMILES
CCCC[N+]1=CC=C(C=C1)C
InChI
InChI=1S/C10H16N/c1-3-4-7-11-8-5-10(2)6-9-11/h5-6,8-9H,3-4,7H2,1-2H3/q+1
InChIKey
NNLHWTTWXYBJBQ-UHFFFAOYSA-N
Compound name
1-butyl-4-methylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

3850
Patents

150.12828 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.13556 133.3
[M+Na]+ 173.11750 141.4
[M-H]- 149.12100 136.0
[M+NH4]+ 168.16210 153.5
[M+K]+ 189.09144 133.9
[M+H-H2O]+ 133.12554 129.9
[M+HCOO]- 195.12648 156.1
[M+CH3COO]- 209.14213 171.8
[M+Na-2H]- 171.10295 142.7
[M]+ 150.12773 133.4
[M]- 150.12883 133.4
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