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
3
Annotation Hits

0
References

2
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 174.7
[M+Na]+ 319.22704 179.7
[M-H]- 295.23054 182.3
[M+NH4]+ 314.27164 190.6
[M+K]+ 335.20098 170.2
[M+H-H2O]+ 279.23508 169.4
[M+HCOO]- 341.23602 196.1
[M+CH3COO]- 355.25167 207.4
[M+Na-2H]- 317.21249 180.1
[M]+ 296.23727 175.4
[M]- 296.23837 175.4
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