CID 208524

32381-63-8

Structural Information

Molecular Formula
C21H34NO
SMILES
CC[N+]1(CCCC1)CCC(C2CCCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H34NO/c1-2-22(16-9-10-17-22)18-15-21(23,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3,5-6,11-12,20,23H,2,4,7-10,13-18H2,1H3/q+1
InChIKey
INHCFZSOVYYNRZ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(1-ethylpyrrolidin-1-ium-1-yl)-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.26404 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.27132 182.9
[M+Na]+ 339.25326 183.1
[M-H]- 315.25676 187.6
[M+NH4]+ 334.29786 197.7
[M+K]+ 355.22720 172.6
[M+H-H2O]+ 299.26130 176.7
[M+HCOO]- 361.26224 195.1
[M+CH3COO]- 375.27789 195.9
[M+Na-2H]- 337.23871 185.4
[M]+ 316.26349 173.5
[M]- 316.26459 173.5
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.