CID 15744

Dimethyldipalmitylammonium

Structural Information

Molecular Formula
C34H72N
SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC
InChI
InChI=1S/C34H72N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3,4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-34H2,1-4H3/q+1
InChIKey
SWSFKKWJEHRFFP-UHFFFAOYSA-N
Compound name
dihexadecyl(dimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

35
References

13786
Patents

494.56647 Da
Monoisotopic Mass

15.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.57375 263.4
[M+Na]+ 517.55569 269.2
[M-H]- 493.55919 246.0
[M+NH4]+ 512.60029 260.2
[M+K]+ 533.52963 268.4
[M+H-H2O]+ 477.56373 255.5
[M+HCOO]- 539.56467 276.1
[M+CH3COO]- 553.58032 252.4
[M+Na-2H]- 515.54114 246.4
[M]+ 494.56592 263.5
[M]- 494.56702 263.5
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