CID 17758312

Hydroxyethyl-2,6-dinitro-p-anisidine

Structural Information

Molecular Formula
C9H11N3O6
SMILES
COC1=CC(=C(C(=C1)[N+](=O)[O-])NCCO)[N+](=O)[O-]
InChI
InChI=1S/C9H11N3O6/c1-18-6-4-7(11(14)15)9(10-2-3-13)8(5-6)12(16)17/h4-5,10,13H,2-3H2,1H3
InChIKey
DRGWFGDFEXFERK-UHFFFAOYSA-N
Compound name
2-(4-methoxy-2,6-dinitroanilino)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

64
Patents

257.0648 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07208 159.5
[M+Na]+ 280.05402 165.4
[M+NH4]+ 275.09862 168.0
[M+K]+ 296.02796 174.5
[M-H]- 256.05752 154.9
[M+Na-2H]- 278.03947 157.8
[M]+ 257.06425 161.0
[M]- 257.06535 161.0
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