CID 4396106

5038-17-5

Structural Information

Molecular Formula
C6H15NO3
SMILES
C(CO)NCCOCCO
InChI
InChI=1S/C6H15NO3/c8-3-1-7-2-5-10-6-4-9/h7-9H,1-6H2
InChIKey
AVUHPLVMRYGTHW-UHFFFAOYSA-N
Compound name
2-[2-(2-hydroxyethoxy)ethylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

58
Patents

149.1052 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.112476 132.2
[M+Na]+ 172.094418 137.6
[M-H]- 148.097924 129.4
[M+NH4]+ 167.139023 151.8
[M+K]+ 188.068358 136.8
[M+H-H2O]+ 132.102460 127.1
[M+HCOO]- 194.103401 154.7
[M+CH3COO]- 208.119051 172.7
[M+Na-2H]- 170.079866 138.4
[M]+ 149.10465142 133.1
[M]- 149.10574858 133.1
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