CID 13240378

1-butyl-2-methylpyridinium

Structural Information

Molecular Formula
C10H16N
SMILES
CCCC[N+]1=CC=CC=C1C
InChI
InChI=1S/C10H16N/c1-3-4-8-11-9-6-5-7-10(11)2/h5-7,9H,3-4,8H2,1-2H3/q+1
InChIKey
BHIGPVGNEXDQBL-UHFFFAOYSA-N
Compound name
1-butyl-2-methylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1058
Patents

150.12828 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.135556 133.3
[M+Na]+ 173.117498 141.4
[M-H]- 149.121004 136.0
[M+NH4]+ 168.162103 153.5
[M+K]+ 189.091438 133.9
[M+H-H2O]+ 133.125540 129.9
[M+HCOO]- 195.126481 156.1
[M+CH3COO]- 209.142131 171.8
[M+Na-2H]- 171.102946 142.7
[M]+ 150.12773142 133.4
[M]- 150.12882858 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