CID 87197

17626-34-5

Structural Information

Molecular Formula
C8H19NO4
SMILES
C(CO)N(CCO)CCOCCO
InChI
InChI=1S/C8H19NO4/c10-4-1-9(2-5-11)3-7-13-8-6-12/h10-12H,1-8H2
InChIKey
JIQBWPFLOVGXMI-UHFFFAOYSA-N
Compound name
2-[2-(2-hydroxyethoxy)ethyl-(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

193.13141 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.13869 143.7
[M+Na]+ 216.12063 150.1
[M+NH4]+ 211.16523 149.0
[M+K]+ 232.09457 146.7
[M-H]- 192.12413 141.0
[M+Na-2H]- 214.10608 144.5
[M]+ 193.13086 143.2
[M]- 193.13196 143.2
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