CID 21149845

(2-ethylhexyl)dimethyloctylammonium chloride

Structural Information

Molecular Formula
C18H40N
SMILES
CCCCCCCC[N+](C)(C)CC(CC)CCCC
InChI
InChI=1S/C18H40N/c1-6-9-11-12-13-14-16-19(4,5)17-18(8-3)15-10-7-2/h18H,6-17H2,1-5H3/q+1
InChIKey
YKZSMJHWONIGCF-UHFFFAOYSA-N
Compound name
2-ethylhexyl-dimethyl-octylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.31607 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.323346 175.5
[M+Na]+ 293.305288 177.7
[M-H]- 269.308794 175.6
[M+NH4]+ 288.349893 192.8
[M+K]+ 309.279228 170.4
[M+H-H2O]+ 253.313330 172.1
[M+HCOO]- 315.314271 194.9
[M+CH3COO]- 329.329921 205.9
[M+Na-2H]- 291.290736 178.7
[M]+ 270.31552142 179.6
[M]- 270.31661858 179.6
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.