CID 78235

Di(2-hydroxyethyl)diethylenetriamine

Structural Information

Molecular Formula
C8H21N3O2
SMILES
C(CNCCO)NCCNCCO
InChI
InChI=1S/C8H21N3O2/c12-7-5-10-3-1-9-2-4-11-6-8-13/h9-13H,1-8H2
InChIKey
UIVFIHRGZKHWHB-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-hydroxyethylamino)ethylamino]ethylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

191.16338 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.17066 143.1
[M+Na]+ 214.15260 145.8
[M-H]- 190.15610 139.8
[M+NH4]+ 209.19720 160.1
[M+K]+ 230.12654 144.1
[M+H-H2O]+ 174.16064 136.6
[M+HCOO]- 236.16158 166.6
[M+CH3COO]- 250.17723 187.2
[M+Na-2H]- 212.13805 148.8
[M]+ 191.16283 141.6
[M]- 191.16393 141.6
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

patents stripe