CID 52034

N-dodecylbenzyl-n,n,n-trimethylammonium hexafluorophosphate

Structural Information

Molecular Formula
C22H40N
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)C[N+](C)(C)C
InChI
InChI=1S/C22H40N/c1-5-6-7-8-9-10-11-12-13-14-15-21-16-18-22(19-17-21)20-23(2,3)4/h16-19H,5-15,20H2,1-4H3/q+1
InChIKey
QBHPUAZVNMMJCX-UHFFFAOYSA-N
Compound name
(4-dodecylphenyl)methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1464
Patents

318.31607 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.32335 186.4
[M+Na]+ 341.30529 189.2
[M-H]- 317.30879 189.7
[M+NH4]+ 336.34989 201.7
[M+K]+ 357.27923 179.6
[M+H-H2O]+ 301.31333 181.4
[M+HCOO]- 363.31427 207.1
[M+CH3COO]- 377.32992 213.3
[M+Na-2H]- 339.29074 190.6
[M]+ 318.31552 190.5
[M]- 318.31662 190.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe