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]+ 181.146116 140.9
[M+Na]+ 203.128058 149.9
[M-H]- 179.131564 142.8
[M+NH4]+ 198.172663 159.7
[M+K]+ 219.101998 141.7
[M+H-H2O]+ 163.136100 137.9
[M+HCOO]- 225.137041 162.0
[M+CH3COO]- 239.152691 176.1
[M+Na-2H]- 201.113506 147.9
[M]+ 180.13829142 141.6
[M]- 180.13938858 141.6
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.