CID 22514

Tricyclamol chloride

Structural Information

Molecular Formula
C20H32NO
SMILES
C[N+]1(CCCC1)CCC(C2CCCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H32NO/c1-21(15-8-9-16-21)17-14-20(22,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2,4-5,10-11,19,22H,3,6-9,12-17H2,1H3/q+1
InChIKey
FRBBPWXCRBHYJQ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(1-methylpyrrolidin-1-ium-1-yl)-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

302.24838 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.25566 176.1
[M+Na]+ 325.23760 187.9
[M+NH4]+ 320.28220 187.2
[M+K]+ 341.21154 180.6
[M-H]- 301.24110 182.3
[M+Na-2H]- 323.22305 185.2
[M]+ 302.24783 180.0
[M]- 302.24893 180.0
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