CID 169425

Benzyldidecylmethylammonium chloride

Structural Information

Molecular Formula
C28H52N
SMILES
CCCCCCCCCC[N+](C)(CCCCCCCCCC)CC1=CC=CC=C1
InChI
InChI=1S/C28H52N/c1-4-6-8-10-12-14-16-21-25-29(3,27-28-23-19-18-20-24-28)26-22-17-15-13-11-9-7-5-2/h18-20,23-24H,4-17,21-22,25-27H2,1-3H3/q+1
InChIKey
JUHBAUUOCQWJRU-UHFFFAOYSA-N
Compound name
benzyl-didecyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

111
Patents

402.40997 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.41725 212.5
[M+Na]+ 425.39919 223.8
[M+NH4]+ 420.44379 220.6
[M+K]+ 441.37313 212.7
[M-H]- 401.40269 217.2
[M+Na-2H]- 423.38464 217.6
[M]+ 402.40942 216.0
[M]- 402.41052 216.0
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