CID 3017645

2-hydroxyethylamino-5-nitroanisole

Structural Information

Molecular Formula
C9H12N2O4
SMILES
COC1=C(C=CC(=C1)[N+](=O)[O-])NCCO
InChI
InChI=1S/C9H12N2O4/c1-15-9-6-7(11(13)14)2-3-8(9)10-4-5-12/h2-3,6,10,12H,4-5H2,1H3
InChIKey
DZFVBIGUJAYIFJ-UHFFFAOYSA-N
Compound name
2-(2-methoxy-4-nitroanilino)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2063
Patents

212.07971 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08699 142.8
[M+Na]+ 235.06893 154.3
[M+NH4]+ 230.11353 149.8
[M+K]+ 251.04287 151.9
[M-H]- 211.07243 145.4
[M+Na-2H]- 233.05438 148.0
[M]+ 212.07916 144.8
[M]- 212.08026 144.8
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

patents stripe