CID 28940

Dodecatriethylammonium bromide

Structural Information

Molecular Formula
C18H40N
SMILES
CCCCCCCCCCCC[N+](CC)(CC)CC
InChI
InChI=1S/C18H40N/c1-5-9-10-11-12-13-14-15-16-17-18-19(6-2,7-3)8-4/h5-18H2,1-4H3/q+1
InChIKey
DGJUONISEWDPFO-UHFFFAOYSA-N
Compound name
dodecyl(triethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

3104
Patents

270.31607 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.32335 175.4
[M+Na]+ 293.30529 177.8
[M-H]- 269.30879 175.4
[M+NH4]+ 288.34989 192.7
[M+K]+ 309.27923 170.1
[M+H-H2O]+ 253.31333 171.9
[M+HCOO]- 315.31427 195.8
[M+CH3COO]- 329.32992 205.3
[M+Na-2H]- 291.29074 179.8
[M]+ 270.31552 180.2
[M]- 270.31662 180.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe