CID 3057400

Piperazinium, 1,1-dimethyl-4-(1-(1-naphtyl)cyclohexyl)-, iodide

Structural Information

Molecular Formula
C22H31N2
SMILES
C[N+]1(CCN(CC1)C2(CCCCC2)C3=CC=CC4=CC=CC=C43)C
InChI
InChI=1S/C22H31N2/c1-24(2)17-15-23(16-18-24)22(13-6-3-7-14-22)21-12-8-10-19-9-4-5-11-20(19)21/h4-5,8-12H,3,6-7,13-18H2,1-2H3/q+1
InChIKey
WICMIRDLFFKPGO-UHFFFAOYSA-N
Compound name
1,1-dimethyl-4-(1-naphthalen-1-ylcyclohexyl)piperazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.24872 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.255996 184.6
[M+Na]+ 346.237938 187.6
[M-H]- 322.241444 190.4
[M+NH4]+ 341.282543 199.6
[M+K]+ 362.211878 176.2
[M+H-H2O]+ 306.245980 174.7
[M+HCOO]- 368.246921 195.3
[M+CH3COO]- 382.262571 202.0
[M+Na-2H]- 344.223386 189.3
[M]+ 323.24817142 174.2
[M]- 323.24926858 174.2
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.