CID 4342487

1-butyl-1-methylpiperidinium bromide

Structural Information

Molecular Formula
C10H22N
SMILES
CCCC[N+]1(CCCCC1)C
InChI
InChI=1S/C10H22N/c1-3-4-8-11(2)9-6-5-7-10-11/h3-10H2,1-2H3/q+1
InChIKey
UVCPHBWNKAXVPC-UHFFFAOYSA-N
Compound name
1-butyl-1-methylpiperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2831
Patents

156.17523 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.18251 136.4
[M+Na]+ 179.16445 141.1
[M-H]- 155.16795 137.9
[M+NH4]+ 174.20905 157.9
[M+K]+ 195.13839 134.5
[M+H-H2O]+ 139.17249 133.5
[M+HCOO]- 201.17343 154.6
[M+CH3COO]- 215.18908 171.5
[M+Na-2H]- 177.14990 144.4
[M]+ 156.17468 131.5
[M]- 156.17578 131.5
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