CID 172616

70776-73-7

Structural Information

Molecular Formula
C17H38NO4
SMILES
CCCCCCCCOCC(C[N+](CC)(CCO)CCO)O
InChI
InChI=1S/C17H38NO4/c1-3-5-6-7-8-9-14-22-16-17(21)15-18(4-2,10-12-19)11-13-20/h17,19-21H,3-16H2,1-2H3/q+1
InChIKey
FJUXPTMUPZLLNU-UHFFFAOYSA-N
Compound name
ethyl-bis(2-hydroxyethyl)-(2-hydroxy-3-octoxypropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.2801 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.28738 183.4
[M+Na]+ 343.26932 184.3
[M-H]- 319.27282 179.2
[M+NH4]+ 338.31392 196.1
[M+K]+ 359.24326 176.5
[M+H-H2O]+ 303.27736 179.9
[M+HCOO]- 365.27830 199.5
[M+CH3COO]- 379.29395 202.0
[M+Na-2H]- 341.25477 186.2
[M]+ 320.27955 187.0
[M]- 320.28065 187.0
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.