CID 3025676

Trimethyl-3-decyloxypropylammonium chloride

Structural Information

Molecular Formula
C16H36NO
SMILES
CCCCCCCCCCOCCC[N+](C)(C)C
InChI
InChI=1S/C16H36NO/c1-5-6-7-8-9-10-11-12-15-18-16-13-14-17(2,3)4/h5-16H2,1-4H3/q+1
InChIKey
CVHIIIWPOPXOOS-UHFFFAOYSA-N
Compound name
3-decoxypropyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

258.2797 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.28698 167.2
[M+Na]+ 281.26892 177.6
[M+NH4]+ 276.31352 175.5
[M+K]+ 297.24286 170.4
[M-H]- 257.27242 169.1
[M+Na-2H]- 279.25437 170.8
[M]+ 258.27915 169.6
[M]- 258.28025 169.6
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