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
3
Annotation Hits

0
References

70
Patents

257.0648 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.072076 151.6
[M+Na]+ 280.054018 157.0
[M-H]- 256.057524 154.2
[M+NH4]+ 275.098623 165.4
[M+K]+ 296.027958 147.6
[M+H-H2O]+ 240.062060 153.7
[M+HCOO]- 302.063001 177.2
[M+CH3COO]- 316.078651 184.6
[M+Na-2H]- 278.039466 160.0
[M]+ 257.06425142 149.9
[M]- 257.06534858 149.9
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