CID 171015

51277-02-2

Structural Information

Molecular Formula
C24H52NO2
SMILES
CCCCCCCCCCCCCCCCCC[N+](CC)(CCO)CCO
InChI
InChI=1S/C24H52NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(4-2,21-23-26)22-24-27/h26-27H,3-24H2,1-2H3/q+1
InChIKey
WZCOILCIFVJZEG-UHFFFAOYSA-N
Compound name
ethyl-bis(2-hydroxyethyl)-octadecylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

386.3998 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.40708 208.8
[M+Na]+ 409.38902 207.6
[M-H]- 385.39252 204.7
[M+NH4]+ 404.43362 221.2
[M+K]+ 425.36296 197.4
[M+H-H2O]+ 369.39706 204.1
[M+HCOO]- 431.39800 240.3
[M+CH3COO]- 445.41365 221.1
[M+Na-2H]- 407.37447 209.4
[M]+ 386.39925 214.8
[M]- 386.40035 214.8
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