CID 87790

Ethanol, 2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]-

Structural Information

Molecular Formula
C12H19NO4
SMILES
C1=CC(=CC=C1N)OCCOCCOCCO
InChI
InChI=1S/C12H19NO4/c13-11-1-3-12(4-2-11)17-10-9-16-8-7-15-6-5-14/h1-4,14H,5-10,13H2
InChIKey
LQGLNHNBYCRXIT-UHFFFAOYSA-N
Compound name
2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

241.13141 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 153.7
[M+Na]+ 264.12063 159.1
[M-H]- 240.12413 154.9
[M+NH4]+ 259.16523 170.0
[M+K]+ 280.09457 157.3
[M+H-H2O]+ 224.12867 146.6
[M+HCOO]- 286.12961 177.1
[M+CH3COO]- 300.14526 191.4
[M+Na-2H]- 262.10608 158.5
[M]+ 241.13086 157.2
[M]- 241.13196 157.2
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