CID 70695641

Hgmsjmjpxggebp-uhfffaoysa-n

Structural Information

Molecular Formula
C21H30N
SMILES
CCC1=CC=C(C=C1)C(C)CCC2=CC=C(C=C2)[N+](C)(C)C
InChI
InChI=1S/C21H30N/c1-6-18-9-13-20(14-10-18)17(2)7-8-19-11-15-21(16-12-19)22(3,4)5/h9-17H,6-8H2,1-5H3/q+1
InChIKey
HGMSJMJPXGGEBP-UHFFFAOYSA-N
Compound name
[4-[3-(4-ethylphenyl)butyl]phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2686
References

3150
Patents

296.23782 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.24510 174.6
[M+Na]+ 319.22704 190.8
[M+NH4]+ 314.27164 185.1
[M+K]+ 335.20098 182.2
[M-H]- 295.23054 182.6
[M+Na-2H]- 317.21249 185.2
[M]+ 296.23727 180.0
[M]- 296.23837 180.0
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

patents stripe