CID 118798

Pyridinium, 1-butyl-4-hydroxy-2,6-dimethyl-, perchlorate (salt)

Structural Information

Molecular Formula
C11H18NO
SMILES
CCCC[N+]1=C(C=C(C=C1C)O)C
InChI
InChI=1S/C11H17NO/c1-4-5-6-12-9(2)7-11(13)8-10(12)3/h7-8H,4-6H2,1-3H3/p+1
InChIKey
ITEYVFIGVJRMNV-UHFFFAOYSA-O
Compound name
1-butyl-2,6-dimethylpyridin-1-ium-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.13884 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.14612 138.9
[M+Na]+ 203.12806 154.6
[M+NH4]+ 198.17266 148.3
[M+K]+ 219.10200 148.2
[M-H]- 179.13156 142.4
[M+Na-2H]- 201.11351 146.2
[M]+ 180.13829 142.6
[M]- 180.13939 142.6
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

No patent data available for this compound.