CID 2777899

1-(1-adamantyl)-4-methylpyridinium bromide

Structural Information

Molecular Formula
C16H22N
SMILES
CC1=CC=[N+](C=C1)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C16H22N/c1-12-2-4-17(5-3-12)16-9-13-6-14(10-16)8-15(7-13)11-16/h2-5,13-15H,6-11H2,1H3/q+1
InChIKey
MEWBQCYUIRFTJK-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-4-methylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

228.17523 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.18251 152.4
[M+Na]+ 251.16445 154.9
[M-H]- 227.16795 150.1
[M+NH4]+ 246.20905 175.5
[M+K]+ 267.13839 145.3
[M+H-H2O]+ 211.17249 145.7
[M+HCOO]- 273.17343 158.6
[M+CH3COO]- 287.18908 160.7
[M+Na-2H]- 249.14990 165.0
[M]+ 228.17468 150.2
[M]- 228.17578 150.2
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