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

454
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

literature stripe

Patent stripe

patents stripe