CID 108584

2,2',2''-[nitrilotris(ethane-2,1-diyloxy)trisethanol

Structural Information

Molecular Formula
C12H27NO6
SMILES
C(COCCO)N(CCOCCO)CCOCCO
InChI
InChI=1S/C12H27NO6/c14-4-10-17-7-1-13(2-8-18-11-5-15)3-9-19-12-6-16/h14-16H,1-12H2
InChIKey
JUDCDFBFKBQQMA-UHFFFAOYSA-N
Compound name
2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

463
Patents

281.18384 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.19112 166.0
[M+Na]+ 304.17306 168.1
[M-H]- 280.17656 161.9
[M+NH4]+ 299.21766 179.8
[M+K]+ 320.14700 168.1
[M+H-H2O]+ 264.18110 158.9
[M+HCOO]- 326.18204 186.1
[M+CH3COO]- 340.19769 197.9
[M+Na-2H]- 302.15851 168.1
[M]+ 281.18329 172.9
[M]- 281.18439 172.9
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.