CID 46049

Schembl3210807

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
4
Annotation Hits

0
References

516
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 184.6
[M+Na]+ 321.33660 186.2
[M-H]- 297.34010 184.2
[M+NH4]+ 316.38120 200.8
[M+K]+ 337.31054 177.9
[M+H-H2O]+ 281.34464 180.7
[M+HCOO]- 343.34558 204.3
[M+CH3COO]- 357.36123 211.3
[M+Na-2H]- 319.32205 187.9
[M]+ 298.34683 190.2
[M]- 298.34793 190.2
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