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 169.6
[M+Na]+ 281.26892 172.8
[M-H]- 257.27242 170.1
[M+NH4]+ 276.31352 187.4
[M+K]+ 297.24286 166.1
[M+H-H2O]+ 241.27696 166.3
[M+HCOO]- 303.27790 191.0
[M+CH3COO]- 317.29355 201.0
[M+Na-2H]- 279.25437 175.2
[M]+ 258.27915 175.1
[M]- 258.28025 175.1
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

patents stripe