CID 469941

1-butanol, 2,2'-[(2-hydroxy-1,3-propanediyl)bis(imino)]bis-, d-

Structural Information

Molecular Formula
C11H26N2O3
SMILES
CCC(CO)NCC(CNC(CC)CO)O
InChI
InChI=1S/C11H26N2O3/c1-3-9(7-14)12-5-11(16)6-13-10(4-2)8-15/h9-16H,3-8H2,1-2H3
InChIKey
CSIPUFDSSJCBLP-UHFFFAOYSA-N
Compound name
2-[[2-hydroxy-3-(1-hydroxybutan-2-ylamino)propyl]amino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

234.19434 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.20162 160.7
[M+Na]+ 257.18356 161.9
[M-H]- 233.18706 155.7
[M+NH4]+ 252.22816 175.5
[M+K]+ 273.15750 160.7
[M+H-H2O]+ 217.19160 154.4
[M+HCOO]- 279.19254 177.9
[M+CH3COO]- 293.20819 193.4
[M+Na-2H]- 255.16901 160.0
[M]+ 234.19379 158.7
[M]- 234.19489 158.7
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

No patent data available for this compound.