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]+ 324.25600 184.6
[M+Na]+ 346.23794 187.6
[M-H]- 322.24144 190.4
[M+NH4]+ 341.28254 199.6
[M+K]+ 362.21188 176.2
[M+H-H2O]+ 306.24598 174.7
[M+HCOO]- 368.24692 195.3
[M+CH3COO]- 382.26257 202.0
[M+Na-2H]- 344.22339 189.3
[M]+ 323.24817 174.2
[M]- 323.24927 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.