CID 29481

19166-03-1

Structural Information

Molecular Formula
C22H30N
SMILES
C[N+](C)(CC1=CC=CC=C1)C2(CCCCC2)CC3=CC=CC=C3
InChI
InChI=1S/C22H30N/c1-23(2,19-21-14-8-4-9-15-21)22(16-10-5-11-17-22)18-20-12-6-3-7-13-20/h3-4,6-9,12-15H,5,10-11,16-19H2,1-2H3/q+1
InChIKey
CQXRMQKNMSVAAF-UHFFFAOYSA-N
Compound name
benzyl-(1-benzylcyclohexyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.23782 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.24510 178.5
[M+Na]+ 331.22704 180.5
[M-H]- 307.23054 187.7
[M+NH4]+ 326.27164 194.3
[M+K]+ 347.20098 170.5
[M+H-H2O]+ 291.23508 171.7
[M+HCOO]- 353.23602 197.5
[M+CH3COO]- 367.25167 203.9
[M+Na-2H]- 329.21249 185.9
[M]+ 308.23727 172.6
[M]- 308.23837 172.6
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.