CID 21149842

Benzylbis(2-ethylhexyl)methylammonium chloride

Structural Information

Molecular Formula
C24H44N
SMILES
CCCCC(CC)C[N+](C)(CC1=CC=CC=C1)CC(CC)CCCC
InChI
InChI=1S/C24H44N/c1-6-10-15-22(8-3)19-25(5,20-23(9-4)16-11-7-2)21-24-17-13-12-14-18-24/h12-14,17-18,22-23H,6-11,15-16,19-21H2,1-5H3/q+1
InChIKey
GWBLZWWPGWZZPQ-UHFFFAOYSA-N
Compound name
benzyl-bis(2-ethylhexyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.34738 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.354656 196.3
[M+Na]+ 369.336598 196.8
[M-H]- 345.340104 199.0
[M+NH4]+ 364.381203 210.0
[M+K]+ 385.310538 187.6
[M+H-H2O]+ 329.344640 191.0
[M+HCOO]- 391.345581 214.3
[M+CH3COO]- 405.361231 219.5
[M+Na-2H]- 367.322046 197.6
[M]+ 346.34683142 199.4
[M]- 346.34792858 199.4
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.