CID 16204521

148292-41-5

Structural Information

Molecular Formula
C11H18N
SMILES
CCCCC[N+]1=CC=CC=C1C
InChI
InChI=1S/C11H18N/c1-3-4-6-9-12-10-7-5-8-11(12)2/h5,7-8,10H,3-4,6,9H2,1-2H3/q+1
InChIKey
WTLZQLNPNHJOSQ-UHFFFAOYSA-N
Compound name
2-methyl-1-pentylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

164.14392 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.15120 135.6
[M+Na]+ 187.13314 151.5
[M+NH4]+ 182.17774 146.0
[M+K]+ 203.10708 143.9
[M-H]- 163.13664 140.0
[M+Na-2H]- 185.11859 144.5
[M]+ 164.14337 139.6
[M]- 164.14447 139.6
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