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 150.3
[M+Na]+ 251.16445 165.0
[M+NH4]+ 246.20905 165.6
[M+K]+ 267.13839 154.1
[M-H]- 227.16795 153.3
[M+Na-2H]- 249.14990 152.4
[M]+ 228.17468 154.0
[M]- 228.17578 154.0
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