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

442
Patents

298.34738 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.354656 184.6
[M+Na]+ 321.336598 186.2
[M-H]- 297.340104 184.2
[M+NH4]+ 316.381203 200.8
[M+K]+ 337.310538 177.9
[M+H-H2O]+ 281.344640 180.7
[M+HCOO]- 343.345581 204.3
[M+CH3COO]- 357.361231 211.3
[M+Na-2H]- 319.322046 187.9
[M]+ 298.34683142 190.2
[M]- 298.34792858 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