CID 21909542

Hc orange no. 3

Structural Information

Molecular Formula
C11H16N2O6
SMILES
C1=CC(=C(C=C1OCC(CO)O)[N+](=O)[O-])NCCO
InChI
InChI=1S/C11H16N2O6/c14-4-3-12-10-2-1-9(5-11(10)13(17)18)19-7-8(16)6-15/h1-2,5,8,12,14-16H,3-4,6-7H2
InChIKey
SZWQTBKBBNGUAB-UHFFFAOYSA-N
Compound name
3-[4-(2-hydroxyethylamino)-3-nitrophenoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2193
Patents

272.10083 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10811 157.6
[M+Na]+ 295.09005 166.2
[M+NH4]+ 290.13465 162.2
[M+K]+ 311.06399 165.9
[M-H]- 271.09355 157.8
[M+Na-2H]- 293.07550 159.8
[M]+ 272.10028 158.2
[M]- 272.10138 158.2
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