CID 45687

63951-43-9

Structural Information

Molecular Formula
C20H38N2
SMILES
CC[N+](CC)(CC)CCC1=CC=C(C=C1)[N+](CC)(CC)CC
InChI
InChI=1S/C20H38N2/c1-7-21(8-2,9-3)18-17-19-13-15-20(16-14-19)22(10-4,11-5)12-6/h13-16H,7-12,17-18H2,1-6H3/q+2
InChIKey
ROLQKWQHTAQTAN-UHFFFAOYSA-N
Compound name
triethyl-[4-[2-(triethylazaniumyl)ethyl]phenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.3035 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.31078 176.8
[M+Na]+ 329.29272 180.2
[M-H]- 305.29622 182.2
[M+NH4]+ 324.33732 192.8
[M+K]+ 345.26666 167.1
[M+H-H2O]+ 289.30076 175.1
[M+HCOO]- 351.30170 198.3
[M+CH3COO]- 365.31735 209.3
[M+Na-2H]- 327.27817 186.3
[M]+ 306.30295 178.9
[M]- 306.30405 178.9
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.