CID 20299

Tridihexethyl

Structural Information

Molecular Formula
C21H36NO
SMILES
CC[N+](CC)(CC)CCC(C1CCCCC1)(C2=CC=CC=C2)O
InChI
InChI=1S/C21H36NO/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3/q+1
InChIKey
NPRHVSBSZMAEIN-UHFFFAOYSA-N
Compound name
(3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

24
References

3137
Patents

318.2797 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.28698 180.8
[M+Na]+ 341.26892 192.5
[M+NH4]+ 336.31352 190.1
[M+K]+ 357.24286 185.4
[M-H]- 317.27242 186.6
[M+Na-2H]- 339.25437 188.5
[M]+ 318.27915 184.6
[M]- 318.28025 184.6
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