CID 47933

2-(2,4-diaminophenoxy)ethanol

Structural Information

Molecular Formula
C8H12N2O2
SMILES
C1=CC(=C(C=C1N)N)OCCO
InChI
InChI=1S/C8H12N2O2/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5,11H,3-4,9-10H2
InChIKey
WCPGNFONICRLCL-UHFFFAOYSA-N
Compound name
2-(2,4-diaminophenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

14
References

10594
Patents

168.08987 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.097146 134.1
[M+Na]+ 191.079088 141.6
[M-H]- 167.082594 135.9
[M+NH4]+ 186.123693 153.2
[M+K]+ 207.053028 139.2
[M+H-H2O]+ 151.087130 128.1
[M+HCOO]- 213.088071 158.7
[M+CH3COO]- 227.103721 180.8
[M+Na-2H]- 189.064536 139.3
[M]+ 168.08932142 131.8
[M]- 168.09041858 131.8
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