CID 480893

Dodecyl(heptyloxymethyl)dimethylamine, chloride

Structural Information

Molecular Formula
C22H48NO
SMILES
CCCCCCCCCCCC[N+](C)(C)COCCCCCCC
InChI
InChI=1S/C22H48NO/c1-5-7-9-11-12-13-14-15-16-18-20-23(3,4)22-24-21-19-17-10-8-6-2/h5-22H2,1-4H3/q+1
InChIKey
WVLAMSOBAMEFSB-UHFFFAOYSA-N
Compound name
dodecyl-(heptoxymethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.3736 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.38088 197.3
[M+Na]+ 365.36282 198.0
[M-H]- 341.36632 196.5
[M+NH4]+ 360.40742 211.7
[M+K]+ 381.33676 189.6
[M+H-H2O]+ 325.37086 192.7
[M+HCOO]- 387.37180 216.6
[M+CH3COO]- 401.38745 219.0
[M+Na-2H]- 363.34827 199.7
[M]+ 342.37305 205.1
[M]- 342.37415 205.1
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

No patent data available for this compound.