CID 24832093

Heptadecyl(hexadecyl)dimethylazanium

Structural Information

Molecular Formula
C35H74N
SMILES
CCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC
InChI
InChI=1S/C35H74N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36(3,4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-35H2,1-4H3/q+1
InChIKey
VUHVIYBUEGOBMT-UHFFFAOYSA-N
Compound name
heptadecyl-hexadecyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

0
References

70
Patents

508.58212 Da
Monoisotopic Mass

16.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.58940 266.9
[M+Na]+ 531.57134 272.6
[M-H]- 507.57484 249.1
[M+NH4]+ 526.61594 263.7
[M+K]+ 547.54528 272.2
[M+H-H2O]+ 491.57938 258.9
[M+HCOO]- 553.58032 279.3
[M+CH3COO]- 567.59597 255.3
[M+Na-2H]- 529.55679 249.5
[M]+ 508.58157 266.9
[M]- 508.58267 266.9
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