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

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 151.6
[M+Na]+ 280.05402 157.0
[M-H]- 256.05752 154.2
[M+NH4]+ 275.09862 165.4
[M+K]+ 296.02796 147.6
[M+H-H2O]+ 240.06206 153.7
[M+HCOO]- 302.06300 177.2
[M+CH3COO]- 316.07865 184.6
[M+Na-2H]- 278.03947 160.0
[M]+ 257.06425 149.9
[M]- 257.06535 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