CID 4077687

2,4,6-tri-tert-butyl-1-methyl-pyridinium, perchlorate

Structural Information

Molecular Formula
C18H32N
SMILES
CC(C)(C)C1=CC(=[N+](C(=C1)C(C)(C)C)C)C(C)(C)C
InChI
InChI=1S/C18H32N/c1-16(2,3)13-11-14(17(4,5)6)19(10)15(12-13)18(7,8)9/h11-12H,1-10H3/q+1
InChIKey
UTQHSNXMBGEPCH-UHFFFAOYSA-N
Compound name
2,4,6-tritert-butyl-1-methylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.25348 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.260756 164.5
[M+Na]+ 285.242698 172.6
[M-H]- 261.246204 167.9
[M+NH4]+ 280.287303 181.5
[M+K]+ 301.216638 164.8
[M+H-H2O]+ 245.250740 162.3
[M+HCOO]- 307.251681 180.0
[M+CH3COO]- 321.267331 197.4
[M+Na-2H]- 283.228146 171.7
[M]+ 262.25293142 166.5
[M]- 262.25402858 166.5
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.