CID 207851

30953-89-0

Structural Information

Molecular Formula
C22H36NO
SMILES
CC[N+]1(CCCCC1)CCC(C2CCCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C22H36NO/c1-2-23(17-10-5-11-18-23)19-16-22(24,20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3,6-7,12-13,21,24H,2,4-5,8-11,14-19H2,1H3/q+1
InChIKey
RKYSQJYDISRDAX-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(1-ethylpiperidin-1-ium-1-yl)-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

330.2797 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.28698 187.0
[M+Na]+ 353.26892 185.8
[M-H]- 329.27242 191.0
[M+NH4]+ 348.31352 199.2
[M+K]+ 369.24286 175.2
[M+H-H2O]+ 313.27696 179.9
[M+HCOO]- 375.27790 196.6
[M+CH3COO]- 389.29355 199.5
[M+Na-2H]- 351.25437 190.5
[M]+ 330.27915 175.7
[M]- 330.28025 175.7
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

No patent data available for this compound.