CID 3065743

1,3-bis(2-aminophenoxy)propan-2-ol

Structural Information

Molecular Formula
C15H18N2O3
SMILES
C1=CC=C(C(=C1)N)OCC(COC2=CC=CC=C2N)O
InChI
InChI=1S/C15H18N2O3/c16-12-5-1-3-7-14(12)19-9-11(18)10-20-15-8-4-2-6-13(15)17/h1-8,11,18H,9-10,16-17H2
InChIKey
RRQQEGUVNLWYAP-UHFFFAOYSA-N
Compound name
1,3-bis(2-aminophenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.13174 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 162.3
[M+Na]+ 297.12096 167.6
[M-H]- 273.12446 166.7
[M+NH4]+ 292.16556 176.4
[M+K]+ 313.09490 164.2
[M+H-H2O]+ 257.12900 154.2
[M+HCOO]- 319.12994 185.3
[M+CH3COO]- 333.14559 200.9
[M+Na-2H]- 295.10641 165.5
[M]+ 274.13119 160.9
[M]- 274.13229 160.9
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

No patent data available for this compound.