CID 172614

70776-71-5

Structural Information

Molecular Formula
C19H42NO4
SMILES
CCCCCCCCCCOCC(C[N+](CC)(CCO)CCO)O
InChI
InChI=1S/C19H42NO4/c1-3-5-6-7-8-9-10-11-16-24-18-19(23)17-20(4-2,12-14-21)13-15-22/h19,21-23H,3-18H2,1-2H3/q+1
InChIKey
GCCMZGXXNPNDAC-UHFFFAOYSA-N
Compound name
(3-decoxy-2-hydroxypropyl)-ethyl-bis(2-hydroxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.31137 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.31865 189.1
[M+Na]+ 371.30059 195.3
[M+NH4]+ 366.34519 193.8
[M+K]+ 387.27453 190.8
[M-H]- 347.30409 187.3
[M+Na-2H]- 369.28604 188.4
[M]+ 348.31082 189.3
[M]- 348.31192 189.3
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.