CID 46049

63982-03-6

Structural Information

Molecular Formula
C20H44N
SMILES
CCCCCCCCCCCCCCCCC[N+](C)(C)C
InChI
InChI=1S/C20H44N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)4/h5-20H2,1-4H3/q+1
InChIKey
KENBDIBVUKXMTB-UHFFFAOYSA-N
Compound name
heptadecyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

477
Patents

298.34738 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.35466 182.1
[M+Na]+ 321.33660 192.2
[M+NH4]+ 316.38120 190.3
[M+K]+ 337.31054 183.5
[M-H]- 297.34010 184.4
[M+Na-2H]- 319.32205 185.2
[M]+ 298.34683 184.6
[M]- 298.34793 184.6
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