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]+ 263.26076 164.5
[M+Na]+ 285.24270 172.6
[M-H]- 261.24620 167.9
[M+NH4]+ 280.28730 181.5
[M+K]+ 301.21664 164.8
[M+H-H2O]+ 245.25074 162.3
[M+HCOO]- 307.25168 180.0
[M+CH3COO]- 321.26733 197.4
[M+Na-2H]- 283.22815 171.7
[M]+ 262.25293 166.5
[M]- 262.25403 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.