CID 81487

Dodecyl(2-hydroxyethyl)dimethylammonium bromide

Structural Information

Molecular Formula
C16H36NO
SMILES
CCCCCCCCCCCC[N+](C)(C)CCO
InChI
InChI=1S/C16H36NO/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16-18/h18H,4-16H2,1-3H3/q+1
InChIKey
IDROXUWVODOXTL-UHFFFAOYSA-N
Compound name
dodecyl-(2-hydroxyethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

2597
Patents

258.2797 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.28698 169.7
[M+Na]+ 281.26892 172.5
[M-H]- 257.27242 168.7
[M+NH4]+ 276.31352 186.8
[M+K]+ 297.24286 164.8
[M+H-H2O]+ 241.27696 166.7
[M+HCOO]- 303.27790 189.6
[M+CH3COO]- 317.29355 198.1
[M+Na-2H]- 279.25437 174.9
[M]+ 258.27915 173.3
[M]- 258.28025 173.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe