CID 13059955

1,1'-iminobis(3-(cyclooctyloxy)-2-propanol)

Structural Information

Molecular Formula
C22H43NO4
SMILES
C1CCCC(CCC1)OCC(CNCC(COC2CCCCCCC2)O)O
InChI
InChI=1S/C22H43NO4/c24-19(17-26-21-11-7-3-1-4-8-12-21)15-23-16-20(25)18-27-22-13-9-5-2-6-10-14-22/h19-25H,1-18H2
InChIKey
MTSORJGETJAIBI-UHFFFAOYSA-N
Compound name
1-cyclooctyloxy-3-[(3-cyclooctyloxy-2-hydroxypropyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.3192 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.32648 166.4
[M+Na]+ 408.30842 166.5
[M+NH4]+ 403.35302 166.5
[M+K]+ 424.28236 166.8
[M-H]- 384.31192 166.4
[M+Na-2H]- 406.29387 166.8
[M]+ 385.31865 166.4
[M]- 385.31975 166.4
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.