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

8
Patents

258.2797 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.286976 169.6
[M+Na]+ 281.268918 172.8
[M-H]- 257.272424 170.1
[M+NH4]+ 276.313523 187.4
[M+K]+ 297.242858 166.1
[M+H-H2O]+ 241.276960 166.3
[M+HCOO]- 303.277901 191.0
[M+CH3COO]- 317.293551 201.0
[M+Na-2H]- 279.254366 175.2
[M]+ 258.27915142 175.1
[M]- 258.28024858 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