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]+ 242.138686 153.7
[M+Na]+ 264.120628 159.1
[M-H]- 240.124134 154.9
[M+NH4]+ 259.165233 170.0
[M+K]+ 280.094568 157.3
[M+H-H2O]+ 224.128670 146.6
[M+HCOO]- 286.129611 177.1
[M+CH3COO]- 300.145261 191.4
[M+Na-2H]- 262.106076 158.5
[M]+ 241.13086142 157.2
[M]- 241.13195858 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